data_2n9l_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 2n9l _Structure_validation_residue.Date_analyzed 2016-12-23 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 ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -95.34 128.3 42.07 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -92.02 114.88 27.54 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.387 1.875 . . . . 0.0 106.824 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.81 122.71 36.57 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.933 0.893 . . . . 0.0 109.658 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.67 112.64 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -82.37 113.62 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -117.99 79.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.18 171.23 25.46 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-O 122.799 1.222 . . . . 0.0 113.433 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 2.57 42.56 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.646 1.579 . . . . 0.0 112.419 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -141.3 -35.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.456 0.702 . . . . 0.0 112.426 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.8 166.96 25.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.516 1.126 . . . . 0.0 109.664 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -138.43 166.54 23.99 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.307 1.443 . . . . 0.0 110.71 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.04 158.52 28.92 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -143.41 118.92 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 p -139.94 170.14 16.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.885 1.274 . . . . 0.0 109.411 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -141.34 135.28 30.35 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.014 -1.054 . . . . 0.0 110.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 m -149.49 137.92 20.79 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.32 1.048 . . . . 0.0 108.721 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.27 146.66 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.097 0.862 . . . . 0.0 109.633 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.76 171.6 20.01 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.762 1.625 . . . . 0.0 109.333 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -70.11 -28.86 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.485 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.87 166.88 31.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.578 1.081 . . . . 0.0 113.604 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.73 -45.45 74.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.964 2.105 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.91 65.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.353 0.524 . . . . 0.0 112.31 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.2 m -75.78 -38.47 58.26 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.098 -1.001 . . . . 0.0 108.998 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.57 65.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.04 -54.08 50.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -54.09 -44.59 71.35 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.981 -0.449 . . . . 0.0 112.102 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.83 -56.24 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.388 0.275 . . . . 0.0 110.411 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.27 -22.65 65.04 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -57.0 -30.97 64.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.446 1.475 . . . . 0.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -56.6 -57.74 11.08 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -42.75 96.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 127.317 2.247 . . . . 0.0 112.031 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.66 -54.95 40.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.914 0.779 . . . . 0.0 111.236 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.99 -29.91 67.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.644 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.47 -36.08 80.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -77.99 -21.52 50.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.33 1.052 . . . . 0.0 112.396 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.83 27.52 5.39 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.955 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 t -125.55 126.34 70.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.745 1.273 . . . . 0.0 108.092 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.17 98.82 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.28 -157.0 7.02 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-O 121.586 0.548 . . . . 0.0 113.838 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.65 106.51 13.65 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.607 2.363 . . . . 0.0 112.198 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -75.22 110.29 9.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.765 2.026 . . . . 0.0 108.572 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -129.14 128.46 43.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.083 0.953 . . . . 0.0 109.525 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -111.07 150.47 29.31 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.398 1.479 . . . . 0.0 113.962 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -134.03 106.59 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.21 -25.72 62.63 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 120.85 -1.156 . . . . 0.0 112.661 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.53 97.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.178 0.899 . . . . 0.0 110.494 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -99.29 -8.8 24.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.458 1.503 . . . . 0.0 110.465 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 59.56 29.75 19.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.96 2.104 . . . . 0.0 111.178 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -96.88 153.69 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.487 1.115 . . . . 0.0 108.484 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.42 101.95 3.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.6 m -101.54 136.65 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.318 1.047 . . . . 0.0 112.063 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.9 t -108.09 100.33 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.6 m -97.18 121.85 39.54 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.373 0.669 . . . . 0.0 110.044 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.065 1.346 . . . . 0.0 108.904 179.728 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.5 113.42 25.26 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -74.35 126.61 31.06 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.97 119.88 38.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.74 115.71 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.48 116.97 29.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -127.76 117.02 21.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.39 1.076 . . . . 0.0 108.163 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.77 -172.26 18.39 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 119.225 0.92 . . . . 0.0 114.52 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -11.97 59.11 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 116.496 2.035 . . . . 0.0 116.496 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 m -126.18 -34.61 2.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.515 1.507 . . . . 0.0 113.067 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 170.26 17.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.114 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -131.87 164.98 24.89 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 125.938 1.695 . . . . 0.0 108.383 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.58 159.9 28.68 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -154.91 121.19 5.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -148.56 168.58 22.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.322 1.449 . . . . 0.0 109.262 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.407 ' C ' ' HG1' ' A' ' 19' ' ' THR . 2.5 p -138.39 135.31 35.17 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 120.755 -1.215 . . . . 0.0 110.22 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 18' ' ' THR . 90.0 m -149.68 138.96 21.35 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.529 1.132 . . . . 0.0 109.392 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.44 151.24 19.74 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.93 179.13 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.898 1.279 . . . . 0.0 108.123 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -97.78 -19.6 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.326 0.65 . . . . 0.0 110.043 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.68 150.36 31.0 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.27 87.81 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.113 0.565 . . . . 0.0 110.198 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.84 71.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.749 0.82 . . . . 0.0 111.401 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -70.84 -44.31 66.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.86 97.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.936 0.494 . . . . 0.0 110.711 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.75 -52.63 38.8 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.555 2.342 . . . . 0.0 110.284 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -71.01 -36.51 72.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.85 -56.34 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.323 0.965 . . . . 0.0 109.415 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.24 -13.09 57.5 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -57.08 -38.09 72.83 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.554 1.07 . . . . 0.0 109.55 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -53.53 -56.37 17.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.049 0.94 . . . . 0.0 108.983 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.45 -44.7 89.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.98 -54.31 48.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.965 0.802 . . . . 0.0 110.317 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.44 -50.53 73.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.46 0.704 . . . . 0.0 111.015 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -32.31 72.01 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.834 0.854 . . . . 0.0 113.164 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -83.28 -5.84 59.27 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.76 33.08 10.27 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-O 118.344 -1.254 . . . . 0.0 113.527 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.66 148.09 31.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 119.348 1.574 . . . . 0.0 110.332 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -157.86 102.66 1.84 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.13 -173.06 16.03 Favored Glycine 0 C--N 1.334 0.461 0 O-C-N 122.252 -0.28 . . . . 0.0 112.462 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.16 112.71 15.4 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 127.951 2.501 . . . . 0.0 110.644 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -84.3 113.7 21.32 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.508 1.523 . . . . 0.0 111.116 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -125.36 120.47 31.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 119.293 0.951 . . . . 0.0 108.751 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -89.21 148.69 23.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -141.34 81.73 1.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -23.58 67.15 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -50.47 46.11 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -78.38 -14.16 59.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.087 0.403 . . . . 0.0 110.049 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 68.13 42.29 1.8 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.159 2.584 . . . . 0.0 111.05 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.5 p -131.96 153.91 49.83 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.92 1.288 . . . . 0.0 111.468 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.82 101.64 4.0 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 m -103.71 137.24 42.02 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.533 1.133 . . . . 0.0 112.812 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.95 110.8 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 101.553 -3.499 . . . . 0.0 101.553 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.9 m -103.37 108.62 19.93 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.523 1.129 . . . . 0.0 109.913 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.251 1.178 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.66 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.08 136.42 35.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -94.99 106.66 18.67 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 122.57 33.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.892 0.877 . . . . 0.0 108.759 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.92 121.64 64.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.08 113.56 26.92 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.82 79.25 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.46 -179.31 52.67 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 124.428 1.013 . . . . 0.0 113.043 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -8.2 56.23 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -140.95 -21.93 0.78 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.292 0.637 . . . . 0.0 112.373 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.74 169.96 17.97 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 111.23 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -134.65 165.61 24.85 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.681 1.193 . . . . 0.0 112.734 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.1 159.93 30.04 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.55 118.67 5.5 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 p -142.55 165.86 26.24 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.099 0.96 . . . . 0.0 110.782 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -133.96 136.68 44.33 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -146.34 138.08 24.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.928 1.291 . . . . 0.0 107.96 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.29 141.34 30.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.6 161.32 39.43 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.186 0.594 . . . . 0.0 110.285 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.66 -44.65 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.539 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -146.71 165.6 29.12 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.279 1.432 . . . . 0.0 107.824 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -32.93 68.79 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.468 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.19 82.78 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.953 1.251 . . . . 0.0 110.288 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 m -63.33 -36.33 83.33 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.17 5.13 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -51.85 -53.99 34.19 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.192 2.597 . . . . 0.0 112.998 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.03 -58.04 9.6 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.736 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.44 -43.39 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.526 0.731 . . . . 0.0 109.831 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -57.65 -30.92 65.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.09 0.859 . . . . 0.0 112.419 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -61.66 -31.03 71.12 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.508 1.049 . . . . 0.0 111.049 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.94 -53.24 60.24 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.06 -50.91 64.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.164 0.986 . . . . 0.0 111.345 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.94 -54.56 41.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.54 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -67.36 -29.45 68.99 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.112 0.415 . . . . 0.0 111.946 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.6 -22.35 62.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.106 0.866 . . . . 0.0 110.135 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -100.53 2.27 41.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.33 1.452 . . . . 0.0 111.728 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.99 26.79 52.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.06 -1.025 . . . . 0.0 114.685 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.1 t -120.84 120.97 63.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 118.695 1.247 . . . . 0.0 107.873 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -155.43 98.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.65 -156.08 8.29 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 125.43 1.49 . . . . 0.0 110.59 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.6 126.52 30.85 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -96.16 113.39 24.99 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.609 1.163 . . . . 0.0 110.852 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -132.97 141.46 48.32 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -122.24 150.45 42.28 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 126.614 1.966 . . . . 0.0 111.535 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -134.26 124.62 26.2 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -33.6 64.41 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.022 -1.049 . . . . 0.0 113.126 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.2 81.19 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.685 1.129 . . . . 0.0 111.158 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -94.99 -13.75 24.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.623 1.169 . . . . 0.0 111.615 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 60.15 26.98 16.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.108 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.4 p -91.25 154.84 18.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.257 1.423 . . . . 0.0 109.998 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.52 102.5 4.34 Favored 'General case' 0 N--CA 1.44 -0.953 1 N-CA-C 99.355 -4.313 . . . . 0.0 99.355 177.691 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -114.6 135.61 53.94 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.0 t -110.13 105.66 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 m -107.75 117.54 34.37 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 125.822 1.649 . . . . 0.0 108.426 -179.385 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -94.42 109.92 21.74 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -74.12 118.08 16.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.81 126.33 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 124.819 1.247 . . . . 0.0 110.624 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.74 128.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -106.34 119.69 39.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -127.54 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.07 -178.78 47.33 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.772 0.701 . . . . 0.0 114.016 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -12.99 56.41 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 118.663 -0.684 . . . . 0.0 112.382 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.41 -17.48 1.53 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.862 0.756 . . . . 0.0 112.865 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 167.84 23.51 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.182 0.993 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -134.81 165.89 24.25 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.142 1.377 . . . . 0.0 108.319 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.47 163.45 32.53 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -149.65 119.54 7.12 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -140.96 176.01 9.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.615 1.566 . . . . 0.0 108.538 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 t -158.92 136.46 10.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.636 -1.915 . . . . 0.0 110.035 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -149.38 140.66 23.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.413 2.285 . . . . 0.0 108.891 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.62 149.42 24.31 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 109.841 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.28 42.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.176 1.391 . . . . 0.0 111.467 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.05 -43.76 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 122.751 0.42 . . . . 0.0 109.911 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.52 165.17 27.55 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.227 1.411 . . . . 0.0 109.335 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.4 91.06 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.08 65.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.422 1.01 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -68.57 -48.88 63.08 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.92 94.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 112.502 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -53.74 -54.26 40.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 127.462 2.305 . . . . 0.0 110.346 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -57.22 -49.64 75.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.76 -56.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 124.3 1.04 . . . . 0.0 111.06 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.46 -12.08 61.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -56.05 -33.51 65.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.337 1.426 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.98 -58.08 9.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.198 1.399 . . . . 0.0 109.526 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -39.22 91.89 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.573 1.149 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -52.67 64.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.709 0.686 . . . . 0.0 110.018 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.2 -45.52 91.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -36.28 77.19 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.666 0.786 . . . . 0.0 112.468 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -81.95 -5.28 58.18 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.578 0.751 . . . . 0.0 111.639 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 32.69 10.88 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 117.667 -1.63 . . . . 0.0 116.262 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.7 t -125.48 146.31 31.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 120.736 2.268 . . . . 0.0 110.469 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.04 98.77 1.91 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.425 -1.695 . . . . 0.0 106.425 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.24 -176.29 17.14 Favored Glycine 0 C--N 1.331 0.258 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.82 105.55 2.82 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.962 0.505 . . . . 0.0 110.158 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -68.2 104.21 1.76 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.985 1.314 . . . . 0.0 108.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -120.16 119.72 34.09 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -94.56 150.51 20.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.215 1.406 . . . . 0.0 110.631 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -137.46 83.19 1.97 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -21.16 66.62 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.323 -0.861 . . . . 0.0 110.945 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -59.29 4.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.15 0.886 . . . . 0.0 109.486 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -83.0 2.69 33.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.86 0.864 . . . . 0.0 111.154 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 54.66 50.76 15.2 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.947 1.699 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -131.9 154.65 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.804 1.642 . . . . 0.0 109.045 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -148.01 102.43 3.39 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 m -106.57 136.36 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -106.65 102.8 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 m -105.48 109.55 21.56 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.396 1.079 . . . . 0.0 109.5 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.402 1.481 . . . . 0.0 112.042 -179.252 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -143.71 96.18 2.86 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -74.05 131.2 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.324 1.049 . . . . 0.0 108.439 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 134.64 33.63 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.499 0.719 . . . . 0.0 110.07 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.64 103.74 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 105.148 -2.168 . . . . 0.0 105.148 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -83.64 117.86 23.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.46 78.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.19 179.78 49.61 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 124.527 1.061 . . . . 0.0 112.887 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -2.27 58.31 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.898 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -139.13 -25.98 0.85 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.632 0.651 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.23 168.91 20.53 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.211 1.404 . . . . 0.0 111.291 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -137.28 166.31 24.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.306 1.442 . . . . 0.0 111.028 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.42 157.34 28.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -143.77 118.77 10.02 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.054 0.942 . . . . 0.0 109.138 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -138.71 172.38 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.762 1.625 . . . . 0.0 108.542 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -143.69 134.49 25.22 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.837 -1.164 . . . . 0.0 109.738 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m -150.44 138.42 20.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.273 1.829 . . . . 0.0 110.952 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.3 156.59 16.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.239 1.016 . . . . 0.0 109.554 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.4 166.34 31.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.503 1.521 . . . . 0.0 109.278 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -78.74 -27.61 13.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 121.213 -0.929 . . . . 0.0 111.29 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.32 154.77 42.05 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.212 1.005 . . . . 0.0 110.226 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.85 72.43 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.735 0.647 . . . . 0.0 109.654 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.8 75.49 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.223 -0.923 . . . . 0.0 111.647 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -69.89 -43.8 71.04 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.78 83.25 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.68 -46.15 84.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.665 1.186 . . . . 0.0 110.43 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.52 -45.94 92.1 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.232 -0.917 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.76 -56.72 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.621 0.768 . . . . 0.0 111.864 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -60.93 -30.32 70.14 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.02 -29.48 70.31 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.504 1.047 . . . . 0.0 112.216 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.15 -57.69 8.82 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.88 -48.08 73.45 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.229 1.811 . . . . 0.0 112.366 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.32 59.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.626 0.648 . . . . 0.0 109.923 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.62 -42.85 97.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.25 -17.53 64.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.118 0.567 . . . . 0.0 112.143 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -99.58 -4.66 30.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.836 1.654 . . . . 0.0 111.704 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.45 28.15 25.49 Favored Glycine 0 CA--C 1.526 0.755 0 O-C-N 120.754 -1.216 . . . . 0.0 113.757 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.76 145.08 34.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -167.61 99.07 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 -160.73 9.83 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-O 121.852 0.696 . . . . 0.0 112.258 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.18 105.53 9.47 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.24 1.016 . . . . 0.0 108.84 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -72.99 106.98 5.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 126.688 1.995 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -125.09 139.54 53.69 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -130.84 149.47 52.46 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.654 1.181 . . . . 0.0 111.201 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -141.66 110.08 5.99 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -20.12 63.43 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.75 -54.79 10.41 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.376 0.989 . . . . 0.0 108.859 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 m -78.6 -13.15 59.97 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.0 2.12 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mttp 59.61 53.63 4.92 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.069 1.748 . . . . 0.0 108.511 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 p -131.99 153.95 49.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.995 0.918 . . . . 0.0 110.887 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.72 102.71 4.09 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 178.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.4 m -107.2 136.48 46.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.991 0.916 . . . . 0.0 110.862 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 t -110.96 96.4 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 102.344 -3.206 . . . . 0.0 102.344 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -100.84 134.21 44.16 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.809 0.444 . . . . 0.0 111.383 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 C--O 1.246 0.879 0 C-N-CA 127.593 2.357 . . . . 0.0 107.229 179.028 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.92 100.39 5.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -74.55 135.26 42.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 126.29 54.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.682 0.674 . . . . 0.0 110.21 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.61 107.26 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -85.99 113.57 22.19 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.38 79.9 1.79 Allowed 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.2 174.43 43.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 114.768 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -10.32 59.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.709 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -134.67 -24.65 1.51 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.967 0.803 . . . . 0.0 112.182 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.39 26.84 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.628 1.104 . . . . 0.0 110.921 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -134.81 166.61 22.59 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 125.363 1.465 . . . . 0.0 111.547 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.44 163.05 34.31 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -146.26 119.07 8.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -142.16 -179.55 6.31 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.908 1.683 . . . . 0.0 107.93 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -158.72 137.52 11.16 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.996 -1.69 . . . . 0.0 108.292 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -148.25 139.06 23.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.774 1.63 . . . . 0.0 107.454 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -91.53 145.89 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.09 149.52 24.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.296 1.039 . . . . 0.0 109.021 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.79 -24.72 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.501 1.12 . . . . 0.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -151.84 157.94 42.59 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 119.342 0.974 . . . . 0.0 111.095 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.95 81.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.832 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.49 88.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.073 0.851 . . . . 0.0 110.702 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.1 m -69.1 -46.87 66.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.47 73.09 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.12 -55.13 38.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.147 1.779 . . . . 0.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.28 -36.84 85.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.638 1.108 . . . . 0.0 112.39 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.4 -55.98 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -61.48 -23.75 66.11 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -56.47 -29.62 61.94 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.438 0.563 . . . . 0.0 110.892 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.98 -58.61 6.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.962 0.505 . . . . 0.0 110.074 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.24 -32.95 70.44 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.042 0.537 . . . . 0.0 112.055 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.01 16.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 118.881 0.764 . . . . 0.0 110.08 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -67.37 -30.58 70.41 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.31 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.2 -25.92 64.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.689 0.795 . . . . 0.0 112.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -101.78 -14.79 17.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.818 0.847 . . . . 0.0 113.265 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.96 31.17 4.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.59 139.81 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 118.238 1.019 . . . . 0.0 110.085 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -167.87 98.41 0.46 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.126 2.171 . . . . 0.0 105.896 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.46 -165.68 10.62 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 126.33 1.919 . . . . 0.0 109.219 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.33 125.74 27.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -98.57 123.13 42.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.089 1.356 . . . . 0.0 110.866 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -138.45 147.2 43.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.373 0.988 . . . . 0.0 108.958 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -120.79 150.46 40.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.743 1.217 . . . . 0.0 111.209 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.94 94.56 3.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.605 2.362 . . . . 0.0 106.766 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -21.85 66.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.888 -0.508 . . . . 0.0 111.232 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.03 6.04 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.478 -0.764 . . . . 0.0 109.539 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -85.23 -4.63 59.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.977 1.311 . . . . 0.0 109.839 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 61.15 43.13 11.41 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.605 1.962 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -117.34 154.03 31.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 110.78 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.15 127.86 29.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -127.0 137.41 53.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.256 0.622 . . . . 0.0 111.816 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 t -112.59 112.05 38.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 102.149 -3.278 . . . . 0.0 102.149 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.8 m -114.22 107.79 16.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.811 0.695 . . . . 0.0 111.42 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.253 1.285 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.304 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.57 165.59 12.45 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.678 0.752 . . . . 0.0 112.18 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -123.06 107.84 12.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.371 2.268 . . . . 0.0 106.424 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.72 117.5 23.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -109.91 98.23 6.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.9 112.99 18.79 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -120.21 80.53 1.62 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.92 1.288 . . . . 0.0 109.298 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.32 177.44 52.87 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-O 121.855 0.697 . . . . 0.0 112.977 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -86.2 -9.97 55.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.811 1.245 . . . . 0.0 112.806 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.97 -22.72 1.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.402 0.681 . . . . 0.0 112.656 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.61 169.9 18.65 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.372 1.469 . . . . 0.0 110.126 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -140.66 166.5 24.59 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.23 1.412 . . . . 0.0 109.834 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.33 162.35 33.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.76 119.7 7.65 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 121.643 -0.916 . . . . 0.0 108.704 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -138.96 163.62 31.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.759 1.224 . . . . 0.0 109.518 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -130.67 135.25 47.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.924 -1.11 . . . . 0.0 109.858 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -150.08 138.68 20.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.602 1.561 . . . . 0.0 108.143 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -97.69 156.17 16.67 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.464 1.029 . . . . 0.0 110.564 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.13 166.15 30.33 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.983 0.913 . . . . 0.0 110.9 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.36 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.53 166.12 32.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.852 0.861 . . . . 0.0 111.178 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.58 64.17 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.671 1.988 . . . . 0.0 112.058 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 -40.34 67.92 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.518 0.599 . . . . 0.0 112.015 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -70.68 -42.54 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.86 76.13 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.106 0.866 . . . . 0.0 109.635 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.61 -45.52 66.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.116 2.167 . . . . 0.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -69.65 -47.91 61.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.645 1.578 . . . . 0.0 112.403 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.02 -52.98 53.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.74 -18.12 63.71 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -58.14 -31.71 67.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 120.115 1.325 . . . . 0.0 109.853 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -63.68 -38.13 89.96 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.623 1.569 . . . . 0.0 112.536 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.96 38.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.068 0.849 . . . . 0.0 111.374 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.21 -35.26 76.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.581 0.628 . . . . 0.0 110.909 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.77 -9.53 44.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.617 1.167 . . . . 0.0 111.686 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -115.1 -1.56 12.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.525 1.53 . . . . 0.0 111.162 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.07 31.55 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.44 142.14 43.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 119.711 1.756 . . . . 0.0 110.635 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -156.04 98.42 1.88 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.65 -170.94 12.02 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -74.92 111.48 10.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.398 0.679 . . . . 0.0 110.497 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.81 100.37 7.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.302 1.841 . . . . 0.0 109.646 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.3 m -125.31 136.3 53.35 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.352 1.061 . . . . 0.0 109.449 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -119.29 150.48 40.05 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -122.22 102.85 8.38 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.999 2.12 . . . . 0.0 105.432 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.23 -27.58 68.08 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.85 -1.156 . . . . 0.0 112.871 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.93 77.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.544 0.611 . . . . 0.0 111.316 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -108.08 -3.9 18.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.469 1.908 . . . . 0.0 111.086 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm 53.64 29.57 9.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.85 1.66 . . . . 0.0 111.966 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 p -97.6 153.18 18.36 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.633 1.173 . . . . 0.0 107.899 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.59 102.18 4.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 m -96.91 137.15 36.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 111.513 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.85 98.02 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 N-CA-C 103.203 -2.888 . . . . 0.0 103.203 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.3 m -102.29 109.59 21.31 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.157 0.983 . . . . 0.0 110.304 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 . . . . . 0 C--O 1.248 0.996 0 C-N-CA 124.464 1.106 . . . . 0.0 110.139 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -94.38 149.81 20.88 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -126.32 105.29 8.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -97.22 111.8 23.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.675 0.79 . . . . 0.0 108.882 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.57 141.35 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.33 123.85 47.57 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -123.74 88.88 2.99 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.51 153.12 17.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 123.351 0.5 . . . . 0.0 112.616 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 5.28 0.07 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.791 2.436 . . . . 0.0 115.659 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.4 m -140.83 -35.66 0.48 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.341 1.056 . . . . 0.0 111.472 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 164.91 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.022 0.929 . . . . 0.0 111.71 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -134.49 166.03 23.82 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.947 1.299 . . . . 0.0 108.652 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.8 164.4 34.67 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.29 119.45 5.89 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -133.58 160.42 37.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.335 1.054 . . . . 0.0 109.872 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.0 p -133.21 136.27 45.53 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.082 0.856 . . . . 0.0 110.444 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -148.5 138.66 22.46 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.752 -1.218 . . . . 0.0 109.052 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.48 140.39 37.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.893 0.77 . . . . 0.0 109.836 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 164.52 38.33 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.665 0.786 . . . . 0.0 111.247 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.85 -21.42 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.183 1.393 . . . . 0.0 111.135 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.38 142.0 27.76 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.81 69.88 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.819 1.247 . . . . 0.0 111.728 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.8 86.93 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.332 0.653 . . . . 0.0 110.161 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -31.84 72.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.16 0.984 . . . . 0.0 110.091 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.75 21.56 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.11 -50.43 69.25 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.377 1.871 . . . . 0.0 112.311 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -53.63 -39.25 64.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.409 0.549 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.83 -53.8 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.092 0.86 . . . . 0.0 109.176 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -58.75 -23.93 60.77 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -52.65 -43.6 65.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.129 0.877 . . . . 0.0 112.658 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.14 -57.71 11.86 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.415 1.086 . . . . 0.0 108.901 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -52.27 -52.85 50.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 111.312 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.23 -54.04 51.29 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.685 0.675 . . . . 0.0 111.508 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -50.21 74.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.901 0.88 . . . . 0.0 112.16 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.41 -38.65 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.981 1.312 . . . . 0.0 112.257 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -78.39 0.19 26.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.132 0.973 . . . . 0.0 112.862 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.38 22.88 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.426 -0.652 . . . . 0.0 114.487 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.23 153.36 24.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 118.858 1.329 . . . . 0.0 109.454 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.31 168.01 22.93 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.142 2.177 . . . . 0.0 107.143 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.42 -166.05 31.57 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -84.81 139.29 32.03 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -103.42 99.55 9.38 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.03 0.919 . . . . 0.0 109.504 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m -118.09 128.97 55.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 127.247 2.219 . . . . 0.0 107.071 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -116.49 149.1 40.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.199 1.4 . . . . 0.0 110.083 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.98 95.95 3.54 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.14 59.38 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.704 -0.623 . . . . 0.0 111.073 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 -58.51 3.84 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.501 1.121 . . . . 0.0 108.605 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -77.3 -13.13 59.99 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm 61.57 51.55 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.876 2.071 . . . . 0.0 111.666 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -132.47 152.14 51.63 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.091 1.756 . . . . 0.0 109.765 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.62 107.6 3.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -128.47 125.69 38.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.591 1.087 . . . . 0.0 110.79 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -83.59 110.88 18.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -123.5 127.91 49.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.429 1.092 . . . . 0.0 109.17 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.287 1.435 . . . . 0.0 107.879 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 C--O 1.233 0.192 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -94.09 120.3 34.14 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -74.37 124.81 27.19 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.04 119.04 34.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.34 108.51 24.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 102.65 -3.093 . . . . 0.0 102.65 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 tp -94.95 113.58 25.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.284 1.433 . . . . 0.0 107.725 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.01 86.13 2.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.466 1.507 . . . . 0.0 108.914 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.64 -169.61 46.07 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.94 0.781 . . . . 0.0 112.579 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HZ3' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -97.61 -6.8 32.51 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.525 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.7 m -141.64 -17.4 0.78 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.938 -1.102 . . . . 0.0 112.325 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 166.08 27.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.756 1.623 . . . . 0.0 109.434 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -136.59 166.06 24.42 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.059 1.344 . . . . 0.0 108.972 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.84 156.96 27.26 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.769 -1.333 . . . . 0.0 109.769 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -147.42 118.26 7.61 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -140.95 175.69 9.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 110.226 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 p -145.24 135.32 23.83 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.267 -0.896 . . . . 0.0 109.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -149.76 138.98 21.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.418 1.487 . . . . 0.0 107.791 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.39 147.72 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.77 179.04 9.46 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 126.051 1.74 . . . . 0.0 109.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.0 -44.31 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.453 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -151.57 176.5 11.28 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.529 1.059 . . . . 0.0 110.098 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.47 62.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.751 1.62 . . . . 0.0 113.253 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.7 73.92 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 119.618 1.099 . . . . 0.0 111.865 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.8 m -65.48 -35.81 81.99 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.564 -0.71 . . . . 0.0 110.316 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.78 63.03 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.856 0.753 . . . . 0.0 109.284 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.41 -54.09 41.88 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 128.126 2.57 . . . . 0.0 111.085 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -65.07 -53.46 45.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.718 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.78 -53.65 39.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.711 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.08 -13.42 61.91 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 117.186 -1.388 . . . . 0.0 113.381 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -58.1 -32.82 68.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.041 1.746 . . . . 0.0 109.384 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.81 -58.21 9.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -59.92 -46.88 87.96 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.579 1.152 . . . . 0.0 110.951 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -54.92 39.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.955 0.502 . . . . 0.0 111.171 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.06 -29.51 67.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 -21.43 61.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.969 0.907 . . . . 0.0 109.925 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -95.15 -1.64 51.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.334 1.854 . . . . 0.0 109.422 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.55 28.79 42.03 Favored Glycine 0 C--N 1.34 0.795 0 O-C-N 120.753 -1.217 . . . . 0.0 114.699 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 t -126.36 127.02 70.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 118.617 1.208 . . . . 0.0 110.28 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -150.9 97.53 2.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.44 -156.95 8.4 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 124.347 0.975 . . . . 0.0 111.321 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.42 113.01 19.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.977 1.311 . . . . 0.0 110.243 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -88.52 104.89 17.24 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.15 1.78 . . . . 0.0 109.76 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 120.48 32.19 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.16 0.981 . . . . 0.0 110.213 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -93.26 150.55 20.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.109 1.764 . . . . 0.0 111.408 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -136.33 94.41 3.02 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -34.79 78.74 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.649 -0.657 . . . . 0.0 111.793 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -51.73 66.25 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.303 1.041 . . . . 0.0 109.865 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -80.84 -13.95 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.052 0.941 . . . . 0.0 110.656 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.256 9.4 ttmt 57.61 51.95 8.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.835 2.854 . . . . 0.0 110.76 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -132.48 154.38 49.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 109.221 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.9 101.67 3.45 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m -101.62 137.31 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.955 0.902 . . . . 0.0 112.801 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.4 t -109.78 103.52 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 103.906 -2.627 . . . . 0.0 103.906 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -112.62 109.18 18.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.724 0.693 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 57.1 tt0 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 126.239 1.815 . . . . 0.0 107.536 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -94.64 97.21 9.94 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.9 0.857 . . . . 0.0 109.741 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.43 110.16 14.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.62 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.516 1.127 . . . . 0.0 110.927 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.29 123.97 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 126.374 1.869 . . . . 0.0 106.764 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.67 113.89 25.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.02 80.0 1.48 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.28 -175.66 48.84 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 124.221 0.915 . . . . 0.0 114.125 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HZ1' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -94.85 -3.25 49.21 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 112.809 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -141.33 -25.78 0.71 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 120.799 -1.188 . . . . 0.0 112.361 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 169.42 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.287 1.435 . . . . 0.0 110.002 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -139.51 165.67 26.61 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.723 1.609 . . . . 0.0 108.464 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.75 161.75 33.49 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.08 119.04 8.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.817 0.809 . . . . 0.0 109.161 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 p -133.88 171.13 14.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.159 1.783 . . . . 0.0 109.127 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -157.17 137.42 12.79 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 120.386 -1.446 . . . . 0.0 111.192 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 m -148.52 138.25 22.17 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.445 1.898 . . . . 0.0 107.795 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.41 138.58 31.32 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.132 0.878 . . . . 0.0 108.811 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.98 172.45 12.67 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 111.359 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.09 -43.5 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.113 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.61 161.7 36.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.664 0.785 . . . . 0.0 109.912 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.26 81.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.041 0.937 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.26 -27.66 66.01 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -71.13 -49.44 44.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.05 82.41 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.696 0.798 . . . . 0.0 111.122 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -55.13 -54.77 39.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.772 2.029 . . . . 0.0 110.541 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -71.19 -35.65 71.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -70.51 -56.27 11.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 119.097 0.862 . . . . 0.0 109.997 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -68.59 -10.23 54.63 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.93 -37.66 61.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.959 1.254 . . . . 0.0 109.544 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -51.08 -56.91 10.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 109.27 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -32.08 73.59 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.411 1.484 . . . . 0.0 113.771 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.6 34.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.063 0.847 . . . . 0.0 109.545 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.25 -35.53 80.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.77 -13.21 58.96 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.725 -0.61 . . . . 0.0 112.318 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -111.12 1.91 17.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.517 1.127 . . . . 0.0 111.834 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.72 43.57 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.901 0.773 . . . . 0.0 113.995 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 t -119.75 139.76 46.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 118.703 1.252 . . . . 0.0 110.975 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -157.06 98.28 1.73 Allowed 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.54 -168.63 11.34 Favored Glycine 0 C--N 1.331 0.259 0 O-C-N 121.903 -0.498 . . . . 0.0 112.912 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -77.0 104.78 7.68 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.41 0.684 . . . . 0.0 110.308 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -72.59 116.93 13.65 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.473 1.509 . . . . 0.0 107.869 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -134.56 138.76 44.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.356 1.062 . . . . 0.0 108.276 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -107.54 150.3 27.0 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.719 1.608 . . . . 0.0 113.12 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -131.27 102.28 5.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.858 2.463 . . . . 0.0 105.755 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -25.21 60.18 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.5 -56.2 5.1 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.302 0.641 . . . . 0.0 109.757 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -78.67 -11.96 60.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.786 0.834 . . . . 0.0 110.387 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 58.91 57.48 3.58 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.656 1.982 . . . . 0.0 109.729 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.68 154.74 49.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.563 1.545 . . . . 0.0 110.022 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.61 118.07 15.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 102.099 -3.297 . . . . 0.0 102.099 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.9 m -120.38 136.23 54.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.776 0.716 . . . . 0.0 111.102 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.5 t -110.22 101.45 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.0 m -100.18 110.04 22.3 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.947 1.299 . . . . 0.0 110.626 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 60.4 tt0 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.562 1.545 . . . . 0.0 112.379 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -94.2 115.68 27.98 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -74.42 127.12 32.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.13 128.59 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.19 124.54 68.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.02 113.17 25.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -118.33 79.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.77 173.3 47.14 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -3.09 58.85 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -136.92 -25.19 1.1 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.999 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 170.13 18.22 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.425 1.49 . . . . 0.0 110.332 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -137.53 166.27 24.28 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.823 1.249 . . . . 0.0 110.925 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.78 162.18 31.48 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -151.56 119.06 6.03 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.001 0.901 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.8 p -141.55 -179.51 6.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.628 1.571 . . . . 0.0 109.056 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -158.84 136.14 9.95 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 119.899 -1.75 . . . . 0.0 108.205 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -149.01 139.0 22.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.366 1.466 . . . . 0.0 109.793 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.55 142.05 27.89 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.17 167.58 23.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 122.783 0.433 . . . . 0.0 110.647 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.86 -38.38 81.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.488 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -152.17 166.43 31.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.086 0.857 . . . . 0.0 109.661 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.51 75.06 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 125.133 1.373 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.95 80.24 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.497 0.719 . . . . 0.0 110.817 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -65.52 -48.96 70.72 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.09 77.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.242 0.617 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.45 -54.55 38.42 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.973 1.709 . . . . 0.0 110.249 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.19 -41.67 89.05 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.742 -0.598 . . . . 0.0 112.258 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.09 -56.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.51 -14.52 51.88 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -62.99 -22.28 66.73 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.362 1.437 . . . . 0.0 109.301 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.91 -58.06 9.37 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -55.94 -45.23 78.87 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.773 2.029 . . . . 0.0 111.662 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -54.37 47.64 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.117 0.871 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.43 -40.45 94.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.385 0.674 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.78 -9.82 59.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.058 2.543 . . . . 0.0 113.523 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -111.65 -4.34 14.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.743 0.817 . . . . 0.0 112.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.18 30.33 17.24 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 118.52 -1.156 . . . . 0.0 114.705 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -126.9 147.62 31.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.174 1.487 . . . . 0.0 108.801 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -158.19 98.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.44 -179.12 17.25 Favored Glycine 0 C--O 1.227 -0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 112.787 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.71 105.18 2.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 110.87 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -67.37 107.64 2.49 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.39 1.476 . . . . 0.0 107.825 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -125.42 154.03 42.57 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.52 150.1 51.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.494 1.118 . . . . 0.0 111.687 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -131.94 105.43 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.257 1.823 . . . . 0.0 106.251 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.0 -19.52 62.51 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.24 -52.36 7.82 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 m -78.78 -14.29 59.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.269 0.628 . . . . 0.0 109.992 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 60.15 54.59 4.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.934 2.094 . . . . 0.0 109.615 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.8 p -132.65 154.17 50.37 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.176 1.39 . . . . 0.0 112.096 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.65 109.55 9.8 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 102.818 -3.03 . . . . 0.0 102.818 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 m -113.55 136.18 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -99.71 98.97 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 101.3 -3.593 . . . . 0.0 101.3 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -101.35 99.94 10.36 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.688 1.195 . . . . 0.0 110.566 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -94.59 128.94 41.56 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -86.57 103.32 14.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.163 1.785 . . . . 0.0 106.993 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.03 116.54 26.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.36 116.59 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.35 113.67 21.32 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 104.702 -2.333 . . . . 0.0 104.702 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.89 80.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.5 159.71 29.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -5.15 39.18 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.064 0.932 . . . . 0.0 113.29 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 m -127.55 -33.44 2.32 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.407 0.683 . . . . 0.0 112.563 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.64 165.3 29.98 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.78 1.232 . . . . 0.0 109.784 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -139.36 165.57 26.86 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.175 0.99 . . . . 0.0 112.425 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.71 164.89 32.85 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.21 119.58 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -136.12 171.83 13.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.966 0.906 . . . . 0.0 109.838 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 p -139.68 136.59 34.4 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.066 0.946 . . . . 0.0 108.622 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -149.32 138.32 21.28 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.27 142.23 27.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.476 0.71 . . . . 0.0 109.111 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.38 168.41 25.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.712 1.205 . . . . 0.0 111.22 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.02 -20.09 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.816 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 152.9 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.872 1.215 . . . . 0.0 112.16 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.54 98.98 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.009 0.924 . . . . 0.0 109.077 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.67 93.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.217 1.007 . . . . 0.0 110.043 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 m -59.17 -48.9 79.92 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.351 -0.843 . . . . 0.0 108.893 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.87 78.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.598 0.359 . . . . 0.0 110.652 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.89 -54.17 50.08 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.663 1.585 . . . . 0.0 111.617 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.14 -48.44 76.26 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.524 0.73 . . . . 0.0 110.803 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.63 -55.18 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 122.758 0.423 . . . . 0.0 109.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.2 -13.75 30.88 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 117.445 -1.264 . . . . 0.0 114.393 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -59.42 -28.57 67.05 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.993 1.724 . . . . 0.0 109.735 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.91 -58.56 8.01 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -42.63 84.38 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.787 1.635 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.78 -55.02 40.53 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.93 0.332 . . . . 0.0 110.723 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.99 -29.89 63.38 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.74 -28.44 69.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.761 1.224 . . . . 0.0 109.481 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.69 -2.82 47.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.16 1.384 . . . . 0.0 112.036 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 31.15 25.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.17 -0.956 . . . . 0.0 114.266 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.56 119.08 57.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 119.244 1.522 . . . . 0.0 109.614 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.72 97.06 2.85 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.02 -163.88 11.56 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.74 117.38 20.58 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -84.9 133.13 34.3 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.87 1.268 . . . . 0.0 111.081 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -144.4 142.8 30.58 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -118.02 149.22 41.32 Favored 'General case' 0 C--O 1.228 -0.041 0 C-N-CA 126.636 1.974 . . . . 0.0 111.424 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' HB2' ' HG1' ' A' ' 52' ' ' THR . 2.0 m-20 -141.54 93.54 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -24.16 67.37 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.513 -0.742 . . . . 0.0 111.92 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.56 70.64 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.585 1.154 . . . . 0.0 112.683 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -119.91 2.63 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.915 2.086 . . . . 0.0 110.243 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mttt 55.89 23.32 6.44 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.088 2.155 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.443 ' HG1' ' HB2' ' A' ' 47' ' ' ASP . 5.9 p -80.89 149.3 29.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.02 107.64 3.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.1 m -118.69 136.19 54.07 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.032 -0.417 . . . . 0.0 110.053 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.77 96.53 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 100.387 -3.931 . . . . 0.0 100.387 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 m -93.29 108.77 20.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.84 0.829 . . . . 0.0 111.362 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.145 0 N-CA-C 104.041 -2.578 . . . . 0.0 104.041 178.414 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -94.81 121.54 36.51 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -76.31 106.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.39 115.62 21.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.98 123.28 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.42 113.36 25.66 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -121.06 79.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.32 176.9 40.64 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-O 122.792 1.218 . . . . 0.0 114.863 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HZ2' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -80.45 -15.64 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.191 -1.504 . . . . 0.0 112.911 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -134.81 -25.77 1.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 169.79 18.57 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.641 1.176 . . . . 0.0 110.446 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -135.26 166.84 22.19 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.19 1.396 . . . . 0.0 110.784 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.29 160.03 29.86 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -152.3 118.52 5.55 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -141.33 170.44 15.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.431 1.092 . . . . 0.0 109.9 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -142.83 135.63 27.94 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.71 -1.244 . . . . 0.0 109.138 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -150.26 138.42 20.3 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.647 1.179 . . . . 0.0 109.869 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.08 144.72 25.24 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.9 168.3 23.39 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.5 -41.08 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.486 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.56 170.44 21.97 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.196 0.907 . . . . 0.0 109.848 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.14 -39.07 63.24 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.259 1.423 . . . . 0.0 112.437 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.93 66.32 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.773 1.229 . . . . 0.0 111.518 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 m -76.04 -49.21 18.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.51 64.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.578 0.751 . . . . 0.0 111.425 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -55.09 -54.85 37.92 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.491 1.917 . . . . 0.0 111.415 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.68 -29.57 61.27 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.14 -56.32 13.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 120.045 1.293 . . . . 0.0 108.194 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -69.08 -12.08 61.37 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.01 -0.995 . . . . 0.0 113.495 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -51.11 -41.32 59.95 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.726 1.148 . . . . 0.0 109.696 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.73 -58.11 8.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.889 1.276 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -39.91 89.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.674 1.59 . . . . 0.0 112.514 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -55.71 31.42 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.709 0.686 . . . . 0.0 111.423 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.66 -31.71 69.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.998 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.9 -37.95 89.27 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 117.817 0.28 . . . . 0.0 110.605 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -75.68 -13.59 60.33 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.024 0.53 . . . . 0.0 111.32 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.52 23.23 9.01 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.04 1.305 . . . . 0.0 113.936 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 t -126.71 116.97 46.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 CA-C-N 118.826 1.313 . . . . 0.0 111.007 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -146.87 97.53 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.36 -156.51 7.86 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 125.141 1.353 . . . . 0.0 110.215 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.75 111.67 17.41 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -78.19 135.97 37.73 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -146.09 123.88 11.93 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -102.83 149.05 24.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.947 0.899 . . . . 0.0 110.748 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.66 92.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.88 59.15 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.46 -56.15 6.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.272 0.942 . . . . 0.0 108.833 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 p -78.92 -10.58 59.85 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.775 -0.578 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 63.87 42.02 6.31 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 126.585 1.954 . . . . 0.0 108.944 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.7 p -113.9 154.21 27.91 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.822 0.849 . . . . 0.0 110.097 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.75 101.35 4.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 102.174 -3.269 . . . . 0.0 102.174 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -94.22 137.23 33.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 126.841 2.056 . . . . 0.0 111.701 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 t -114.71 101.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.9 m -103.81 113.1 26.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.026 0.931 . . . . 0.0 109.95 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.471 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 68.7 tt0 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 124.63 1.172 . . . . 0.0 110.304 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 C--O 1.234 0.252 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -93.16 129.55 39.13 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.492 1.139 . . . . 0.0 108.634 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -91.1 111.68 23.25 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.178 -1.828 . . . . 0.0 106.599 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 134.73 34.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.963 0.905 . . . . 0.0 109.381 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.7 122.6 47.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -97.45 119.09 35.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.144 2.177 . . . . 0.0 105.728 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.34 80.1 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -168.06 44.36 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.463 1.03 . . . . 0.0 112.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -18.29 17.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.617 1.167 . . . . 0.0 112.725 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 m -115.41 -33.57 5.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.642 0.777 . . . . 0.0 111.743 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.46 168.62 21.44 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.864 1.666 . . . . 0.0 110.556 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -132.36 163.03 29.6 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.12 1.768 . . . . 0.0 107.432 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.79 170.31 34.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.35 119.53 4.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -138.59 178.54 7.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.951 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -139.48 137.1 35.25 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.567 -1.333 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 m -148.39 137.5 21.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.35 141.56 29.52 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.562 -0.711 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.54 161.23 40.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.722 1.609 . . . . 0.0 111.19 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.28 -39.12 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.36 161.78 37.16 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.418 1.087 . . . . 0.0 109.53 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.84 66.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.991 0.916 . . . . 0.0 111.869 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.79 92.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.404 1.002 . . . . 0.0 111.413 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -70.01 -39.17 76.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.56 -52.91 63.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.73 0.812 . . . . 0.0 109.283 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.93 -53.85 29.26 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 126.786 2.034 . . . . 0.0 110.355 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.8 -52.41 64.09 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.921 1.288 . . . . 0.0 111.703 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.41 -54.0 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 123.044 0.538 . . . . 0.0 110.09 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -54.11 -30.6 49.36 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.633 1.173 . . . . 0.0 112.548 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -52.95 -34.41 55.45 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 111.858 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -69.4 -54.68 13.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.895 0.878 . . . . 0.0 109.661 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.98 -47.81 83.82 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.36 31.35 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.41 -38.41 90.94 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.09 -17.64 64.43 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.927 0.491 . . . . 0.0 111.858 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -100.29 0.16 39.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.871 1.269 . . . . 0.0 110.454 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 23.32 44.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.097 -1.002 . . . . 0.0 113.791 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.95 127.73 75.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 CA-C-N 118.783 1.291 . . . . 0.0 108.152 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -157.17 106.99 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.7 -164.48 10.82 Favored Glycine 0 C--O 1.226 -0.369 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.04 118.06 11.47 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.168 0.587 . . . . 0.0 110.226 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -83.88 99.77 10.56 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 127.042 2.137 . . . . 0.0 111.18 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.94 134.08 54.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.471 0.708 . . . . 0.0 109.199 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -113.17 149.54 33.49 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.486 2.314 . . . . 0.0 111.416 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.32 113.4 8.34 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 126.03 1.732 . . . . 0.0 107.274 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -25.8 60.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.381 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.27 87.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.413 1.006 . . . . 0.0 111.388 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -1.75 25.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.953 0.901 . . . . 0.0 109.593 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 58.8 18.79 6.34 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.357 1.863 . . . . 0.0 110.946 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 p -83.81 136.83 33.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.917 0.887 . . . . 0.0 109.671 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.23 102.12 6.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 101.894 -3.372 . . . . 0.0 101.894 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -104.75 136.49 44.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.421 0.689 . . . . 0.0 112.367 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.24 106.01 19.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 101.558 -3.497 . . . . 0.0 101.558 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.08 108.77 14.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.989 0.813 . . . . 0.0 111.88 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.247 0.951 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 178.124 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.234 0.273 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -94.27 113.51 25.43 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.01 117.49 19.39 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.55 123.56 33.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.4 108.88 22.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.31 112.91 19.72 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 102.421 -3.178 . . . . 0.0 102.421 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -119.51 78.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.05 179.66 48.53 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 114.949 -1.023 . . . . 0.0 113.136 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.06 -8.48 45.75 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.588 1.555 . . . . 0.0 112.419 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -133.58 -31.93 1.17 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.034 0.833 . . . . 0.0 111.628 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 169.38 19.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.14 1.376 . . . . 0.0 109.083 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -140.4 167.81 21.28 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.873 1.269 . . . . 0.0 112.898 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.56 163.1 29.86 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -151.93 117.96 5.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 106.16 -1.792 . . . . 0.0 106.16 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 p -145.31 171.28 14.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.681 1.192 . . . . 0.0 110.971 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -139.53 134.39 32.14 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.294 -0.879 . . . . 0.0 110.907 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 m -149.88 137.52 20.03 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.51 147.69 23.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.919 1.236 . . . . 0.0 108.281 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.64 172.88 12.36 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.689 1.595 . . . . 0.0 108.955 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.2 p -78.64 -25.32 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 118.407 0.548 . . . . 0.0 110.978 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -158.81 168.42 26.86 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.697 0.681 . . . . 0.0 110.298 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.16 95.09 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.184 0.994 . . . . 0.0 110.588 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -44.81 74.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.252 0.621 . . . . 0.0 110.676 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -66.69 -48.94 67.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.79 60.65 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.963 0.505 . . . . 0.0 110.511 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -53.63 -54.09 42.56 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.596 1.558 . . . . 0.0 111.311 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -64.42 -45.42 87.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.37 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.95 -53.08 48.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 110.05 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -60.92 -14.49 22.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.48 -30.03 66.67 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 119.5 1.045 . . . . 0.0 110.388 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -56.6 -58.01 9.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.73 -42.32 92.86 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.813 2.045 . . . . 0.0 111.937 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.27 43.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.876 0.762 . . . . 0.0 109.813 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -45.64 84.08 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.661 0.784 . . . . 0.0 109.38 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.77 -35.3 77.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.681 1.193 . . . . 0.0 112.755 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.43 -5.94 58.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.183 0.593 . . . . 0.0 111.574 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 29.77 36.65 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-O 118.829 -0.984 . . . . 0.0 115.34 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.32 157.51 38.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 118.546 1.173 . . . . 0.0 109.097 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.49 168.71 21.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 129.114 2.966 . . . . 0.0 105.679 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.05 -155.75 27.1 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 107.648 -2.181 . . . . 0.0 107.648 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -98.62 106.95 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -78.57 102.1 7.76 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.666 1.986 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.3 m -125.2 139.31 53.85 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -107.89 150.1 27.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.901 1.281 . . . . 0.0 111.756 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -127.01 101.04 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 127.498 2.319 . . . . 0.0 104.809 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -37.21 86.89 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 118.79 -0.624 . . . . 0.0 111.876 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.52 20.97 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.518 1.054 . . . . 0.0 109.458 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -78.71 -13.96 59.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 60.45 46.2 10.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.272 2.229 . . . . 0.0 109.676 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -120.66 154.01 36.11 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.516 1.526 . . . . 0.0 108.635 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.62 101.77 4.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.769 -3.049 . . . . 0.0 102.769 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.2 m -104.93 136.69 43.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.257 0.623 . . . . 0.0 112.139 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -108.08 98.17 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 104.014 -2.587 . . . . 0.0 104.014 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 m -115.14 145.25 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.222 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.236 0.36 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -95.53 139.97 31.04 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -81.08 108.97 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.037 0.535 . . . . 0.0 110.314 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.01 100.07 10.23 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.429 2.292 . . . . 0.0 110.139 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.54 128.66 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.207 1.403 . . . . 0.0 108.105 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -98.68 116.03 30.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 127.409 2.283 . . . . 0.0 106.336 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -119.87 82.14 1.84 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.7 159.97 14.58 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.232 0.92 . . . . 0.0 112.329 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -0.31 2.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -141.23 -29.78 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.011 1.278 . . . . 0.0 113.42 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 163.59 35.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 108.243 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -141.0 166.13 25.63 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 125.078 1.351 . . . . 0.0 108.935 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.13 161.79 33.2 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.35 119.14 3.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.9 p -143.1 169.5 17.47 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.758 1.223 . . . . 0.0 109.065 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 p -136.08 134.08 38.02 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.322 1.419 . . . . 0.0 110.986 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -148.75 139.19 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.682 1.993 . . . . 0.0 108.298 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.54 156.19 16.91 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.36 0.982 . . . . 0.0 110.36 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.13 175.63 13.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.678 2.391 . . . . 0.0 108.479 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.19 -27.06 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 120.158 1.345 . . . . 0.0 111.784 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.16 163.51 35.99 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.097 0.559 . . . . 0.0 110.601 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.74 -36.82 70.18 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.025 1.33 . . . . 0.0 110.836 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.65 93.69 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.019 0.927 . . . . 0.0 110.95 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 m -68.15 -49.12 63.04 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.04 -47.97 74.07 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.887 0.475 . . . . 0.0 110.475 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -51.66 -51.27 57.17 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.661 1.984 . . . . 0.0 110.823 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -74.43 -35.19 63.37 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.606 -0.684 . . . . 0.0 112.725 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.22 -54.71 21.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.82 -15.2 61.45 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.223 -1.37 . . . . 0.0 113.019 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -51.81 -41.7 61.93 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.73 1.604 . . . . 0.0 113.052 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -58.35 -56.22 24.95 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.55 -52.99 63.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.693 1.597 . . . . 0.0 112.102 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.13 -54.3 46.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.488 0.715 . . . . 0.0 112.009 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.21 -36.84 85.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.446 0.466 . . . . 0.0 110.899 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.31 -35.2 80.27 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.167 0.587 . . . . 0.0 110.54 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.16 -11.22 60.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.971 0.909 . . . . 0.0 110.268 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.87 57.56 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-O 118.576 -1.125 . . . . 0.0 112.819 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -115.59 137.04 50.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 119.254 1.527 . . . . 0.0 108.221 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -151.71 167.3 28.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.315 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -156.86 28.98 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 124.67 30.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.547 1.939 . . . . 0.0 106.458 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -101.74 100.37 10.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 m -135.74 150.35 49.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.658 1.983 . . . . 0.0 108.12 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -122.03 150.03 42.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.422 1.489 . . . . 0.0 112.063 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.11 101.02 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 128.307 2.643 . . . . 0.0 106.482 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -38.54 86.26 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.65 53.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.277 0.944 . . . . 0.0 111.408 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.15 -14.47 59.09 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.7 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 61.43 53.38 3.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.489 2.315 . . . . 0.0 107.917 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 p -131.77 154.91 48.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.339 1.856 . . . . 0.0 111.499 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.53 102.01 3.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 103.263 -2.866 . . . . 0.0 103.263 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -110.11 126.32 53.92 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.926 1.239 . . . . 0.0 110.214 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.4 101.02 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -114.7 111.96 22.1 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.255 1.388 0 CA-C-O 118.135 -0.935 . . . . 0.0 109.149 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.18 127.77 43.46 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -84.7 117.51 23.84 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.79 114.62 27.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.52 137.05 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.07 121.21 44.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.26 80.34 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.02 160.46 16.85 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.52 0.581 . . . . 0.0 111.973 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -9.89 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.093 1.757 . . . . 0.0 115.254 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -136.72 -23.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 119.87 1.213 . . . . 0.0 113.787 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 158.65 43.98 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.016 0.926 . . . . 0.0 109.467 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -134.31 165.86 24.15 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.456 1.102 . . . . 0.0 109.963 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.94 160.26 28.96 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -148.85 118.98 7.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -144.11 170.18 16.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.351 1.061 . . . . 0.0 108.857 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.35 136.9 28.34 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.9 -1.125 . . . . 0.0 111.221 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.1 m -148.56 138.94 22.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.913 1.285 . . . . 0.0 108.537 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.76 142.91 28.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.66 0.664 . . . . 0.0 111.202 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.19 166.12 34.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.342 0.657 . . . . 0.0 111.768 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.59 -32.47 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.121 0.968 . . . . 0.0 109.99 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -154.23 166.26 33.71 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.93 69.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.895 -0.574 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -40.5 65.37 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.614 1.166 . . . . 0.0 112.425 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 m -70.85 -46.96 61.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.4 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.083 0.553 . . . . 0.0 112.491 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.53 -55.58 24.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.546 1.938 . . . . 0.0 110.53 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -75.48 -35.99 60.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -55.43 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 120.806 1.639 . . . . 0.0 110.52 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -71.92 -8.59 55.34 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -51.26 -42.89 61.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.571 1.532 . . . . 0.0 113.032 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -55.71 -58.91 5.85 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 124.8 1.24 . . . . 0.0 108.787 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -56.37 -45.73 80.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.871 1.268 . . . . 0.0 112.428 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.539 0.609 . . . . 0.0 111.841 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.64 -29.96 63.9 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.693 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.71 -29.75 70.32 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.385 0.674 . . . . 0.0 109.716 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.82 -12.93 46.5 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.009 1.324 . . . . 0.0 110.69 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.32 18.48 16.71 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.269 -1.295 . . . . 0.0 115.676 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.72 129.26 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 119.902 1.851 . . . . 0.0 109.66 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -143.01 127.11 17.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.41 -156.82 10.64 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.85 106.35 14.61 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.205 1.802 . . . . 0.0 109.515 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -84.02 101.67 11.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.104 1.362 . . . . 0.0 108.746 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 m -115.59 120.56 39.83 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.987 0.812 . . . . 0.0 109.661 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -96.88 145.64 25.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.201 1.401 . . . . 0.0 109.33 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.46 109.59 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -30.97 63.67 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -46.59 71.28 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.004 1.274 . . . . 0.0 109.212 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 m -78.66 -14.49 59.28 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 tttp 51.53 50.75 18.16 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.515 2.726 . . . . 0.0 111.098 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -132.59 154.18 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.459 1.504 . . . . 0.0 109.9 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.44 102.57 4.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -115.16 136.33 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.421 -0.799 . . . . 0.0 112.805 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -95.3 103.12 14.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -112.61 127.35 56.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 126.59 1.956 . . . . 0.0 105.987 179.731 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -95.37 115.0 26.83 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -78.43 111.01 14.01 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.6 117.93 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.05 119.26 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.58 120.5 30.93 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -135.07 82.69 1.97 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.07 0.948 . . . . 0.0 111.163 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 160.96 18.89 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.821 0.724 . . . . 0.0 111.663 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -0.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.083 3.353 . . . . 0.0 119.284 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.8 m -141.84 -35.47 0.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 122.738 2.517 . . . . 0.0 113.515 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 169.42 19.2 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.96 0.8 . . . . 0.0 109.558 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -140.67 167.12 22.92 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.963 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.24 152.37 24.27 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -143.91 117.58 9.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -143.25 163.37 33.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.56 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.41 135.66 44.76 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.341 -0.849 . . . . 0.0 109.298 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 m -149.24 138.71 21.64 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 126.879 2.072 . . . . 0.0 105.989 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.37 139.48 37.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.316 0.962 . . . . 0.0 110.086 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 172.11 13.32 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.508 1.123 . . . . 0.0 110.81 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.36 -19.88 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.44 0.696 . . . . 0.0 110.983 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 163.17 40.57 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.707 0.685 . . . . 0.0 109.705 -179.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.71 97.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.522 0.729 . . . . 0.0 111.39 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.46 77.34 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.986 0.914 . . . . 0.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.5 m -64.7 -30.65 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.133 -0.98 . . . . 0.0 110.067 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.9 57.23 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.258 -0.902 . . . . 0.0 109.516 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.63 -54.26 46.33 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 127.663 2.385 . . . . 0.0 111.296 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -64.55 -43.22 94.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.792 1.237 . . . . 0.0 113.515 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.93 -55.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.96 -12.73 57.02 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.91 -35.17 68.69 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.927 1.239 . . . . 0.0 110.317 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -56.57 -55.53 32.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -39.66 94.86 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 126.37 1.868 . . . . 0.0 111.478 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.25 -54.64 44.54 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.194 0.906 . . . . 0.0 111.165 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -69.07 -36.38 77.56 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.808 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.2 -19.6 63.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.27 -11.89 23.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.179 0.992 . . . . 0.0 110.619 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.7 31.82 9.09 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 120.852 -1.155 . . . . 0.0 114.372 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.57 145.26 34.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.518 1.152 . . . . 0.0 108.114 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -148.06 166.92 26.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.524 1.929 . . . . 0.0 105.879 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.71 -158.49 29.09 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 119.4 1.0 . . . . 0.0 111.946 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -96.88 105.9 18.12 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.425 1.89 . . . . 0.0 109.182 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -77.76 113.94 16.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.4 1.08 . . . . 0.0 108.425 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 m -135.4 121.35 19.88 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -93.67 149.34 21.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.107 0.963 . . . . 0.0 108.765 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -124.23 106.48 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.096 1.759 . . . . 0.0 106.342 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -17.64 64.7 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.56 5.64 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.404 1.002 . . . . 0.0 110.677 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -78.6 -13.17 59.96 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 52.84 41.25 31.75 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.284 2.234 . . . . 0.0 111.636 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.4 p -117.34 154.23 31.63 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.635 1.574 . . . . 0.0 106.865 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.41 101.81 4.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.75 -3.056 . . . . 0.0 102.75 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 136.16 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 95.03 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 1 N-CA-C 97.102 -5.147 . . . . 0.0 97.102 176.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 m -113.29 145.83 40.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 108.604 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.346 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.232 0.184 0 CA-C-O 119.652 -0.214 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -94.56 120.63 35.09 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -74.38 105.63 5.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -87.88 109.5 19.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.858 0.863 . . . . 0.0 110.237 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.65 143.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.235 1.414 . . . . 0.0 107.292 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.48 129.62 56.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.54 80.08 1.83 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.89 172.65 54.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 124.706 1.146 . . . . 0.0 111.717 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -7.83 55.99 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.55 -19.76 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 160.61 42.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -125.96 166.93 16.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.216 1.407 . . . . 0.0 110.178 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.35 161.36 30.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.11 122.34 9.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -142.79 165.99 25.86 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.239 1.416 . . . . 0.0 110.885 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -149.02 135.38 19.33 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.455 -0.778 . . . . 0.0 110.307 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.5 m -148.66 138.29 22.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.412 1.885 . . . . 0.0 106.313 177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.41 121.27 35.77 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 171.79 9.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.253 1.421 . . . . 0.0 109.22 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.33 -37.79 32.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.058 -0.496 . . . . 0.0 109.742 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.38 166.0 27.65 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.36 0.664 . . . . 0.0 110.229 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.87 -43.49 77.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.228 1.411 . . . . 0.0 111.772 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 118.337 0.517 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.5 m -66.13 -49.17 68.38 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.7 84.56 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.821 0.448 . . . . 0.0 110.741 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -58.75 -54.41 47.44 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.503 1.521 . . . . 0.0 109.694 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -61.92 -35.87 79.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.18 -56.91 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.468 1.031 . . . . 0.0 111.43 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -65.79 -14.66 61.8 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -57.11 -31.19 65.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.434 1.47 . . . . 0.0 110.635 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.32 -56.51 20.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.115 1.366 . . . . 0.0 107.863 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.83 -44.88 90.99 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 110.724 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.28 36.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.645 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -70.75 -32.12 69.18 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.622 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.05 -31.74 72.95 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.055 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -93.23 -0.27 56.87 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.675 0.79 . . . . 0.0 112.605 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.81 32.68 12.4 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.073 -1.404 . . . . 0.0 115.814 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.7 t -120.79 133.03 68.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 119.976 1.888 . . . . 0.0 109.425 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -148.03 98.54 2.95 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.317 1.047 . . . . 0.0 109.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.43 -172.69 18.58 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 123.519 0.581 . . . . 0.0 112.255 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.53 125.38 26.53 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.319 1.047 . . . . 0.0 111.108 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -88.4 99.92 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.918 1.687 . . . . 0.0 108.838 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.7 m -120.23 122.89 41.91 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.15 0.58 . . . . 0.0 110.091 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -99.14 149.63 22.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.743 2.017 . . . . 0.0 111.983 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -137.35 92.0 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -65.95 -19.8 65.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.213 1.405 . . . . 0.0 113.365 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.6 -50.81 9.48 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -78.46 -14.21 59.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 61.55 33.06 18.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 127.846 2.458 . . . . 0.0 110.936 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 p -117.57 154.34 31.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.23 122.82 12.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.101 -3.296 . . . . 0.0 102.101 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.6 135.7 54.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.196 0.453 . . . . 0.0 111.549 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.34 95.8 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 100.849 -3.76 . . . . 0.0 100.849 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 m -105.25 124.54 49.72 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 109.238 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.249 1.03 0 C-N-CA 126.447 1.899 . . . . 0.0 110.687 -178.585 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.8 m . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -123.32 125.61 45.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.725 1.21 . . . . 0.0 107.855 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -86.73 111.9 21.15 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 107.16 17.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.511 1.124 . . . . 0.0 109.348 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.33 123.85 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.61 119.49 39.58 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.15 106.37 9.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.656 1.182 . . . . 0.0 108.067 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.44 178.4 17.69 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.282 0.944 . . . . 0.0 113.54 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -6.67 56.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.011 0.924 . . . . 0.0 112.791 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -137.35 -27.16 0.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 170.42 17.17 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.552 1.141 . . . . 0.0 111.512 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -141.04 166.36 25.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.857 1.663 . . . . 0.0 109.765 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.39 161.05 31.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.42 118.85 8.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 p -138.07 175.21 9.78 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.307 1.043 . . . . 0.0 110.672 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.9 p -134.53 143.27 47.33 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.906 -1.121 . . . . 0.0 111.143 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.464 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -146.68 138.97 24.87 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -116.16 110.45 18.84 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.47 165.43 26.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.366 1.466 . . . . 0.0 109.856 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.83 -26.47 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.117 0.967 . . . . 0.0 112.306 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.03 157.76 44.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.912 0.778 . . . . 0.0 111.772 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.5 -37.8 82.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.529 1.532 . . . . 0.0 109.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.12 75.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.505 0.722 . . . . 0.0 110.84 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -65.37 -45.76 82.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.53 0.604 . . . . 0.0 109.468 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -49.76 72.24 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.91 -55.09 37.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.501 1.52 . . . . 0.0 111.903 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.92 -48.26 82.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.874 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.77 -52.26 41.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.187 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.464 ' CE2' ' HB ' ' A' ' 19' ' ' THR . 1.9 m-85 -65.46 -16.22 63.42 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-O 117.713 -1.137 . . . . 0.0 113.041 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.81 -33.43 61.56 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 120.411 1.46 . . . . 0.0 111.069 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.51 -58.63 7.47 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -44.27 96.89 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 125.591 1.557 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.91 -53.68 55.51 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.597 0.759 . . . . 0.0 110.674 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.06 -42.54 99.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.957 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.86 -32.71 74.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.468 1.507 . . . . 0.0 111.564 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -78.86 -19.34 52.22 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.436 1.095 . . . . 0.0 109.765 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.51 21.73 9.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.98 1.276 . . . . 0.0 115.278 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.08 131.59 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 119.632 1.716 . . . . 0.0 108.964 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -151.97 98.44 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.6 -156.96 7.45 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 123.641 0.639 . . . . 0.0 112.792 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -69.96 105.85 2.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.509 1.524 . . . . 0.0 112.459 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -84.62 104.37 14.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.709 1.603 . . . . 0.0 109.771 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -120.64 124.96 46.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.351 1.432 . . . . 0.0 110.787 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -91.39 148.76 22.09 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.492 1.117 . . . . 0.0 110.071 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -135.31 92.4 2.85 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.529 1.932 . . . . 0.0 106.583 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -21.25 65.64 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.619 -0.676 . . . . 0.0 112.111 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.39 -49.41 42.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 119.031 0.832 . . . . 0.0 109.411 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -89.4 -10.57 46.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.32 0.509 . . . . 0.0 110.872 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.36 54.36 3.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.15 2.18 . . . . 0.0 109.315 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 p -131.22 154.69 48.16 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 127.053 2.141 . . . . 0.0 107.727 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.44 102.79 4.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -105.16 136.37 44.79 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.91 96.66 4.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 101.692 -3.448 . . . . 0.0 101.692 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -97.04 88.49 4.52 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.252 1.231 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.218 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mmt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.49 147.22 18.49 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 107.554 -2.219 . . . . 0.0 107.554 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m -95.43 116.98 29.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.878 0.839 . . . . 0.0 110.61 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -95.34 128.3 42.07 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -92.02 114.88 27.54 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.387 1.875 . . . . 0.0 106.824 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.81 122.71 36.57 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.933 0.893 . . . . 0.0 109.658 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.67 112.64 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -82.37 113.62 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -117.99 79.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.18 171.23 25.46 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-O 122.799 1.222 . . . . 0.0 113.433 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 2.57 42.56 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.646 1.579 . . . . 0.0 112.419 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -141.3 -35.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.456 0.702 . . . . 0.0 112.426 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.8 166.96 25.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.516 1.126 . . . . 0.0 109.664 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -138.43 166.54 23.99 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.307 1.443 . . . . 0.0 110.71 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.04 158.52 28.92 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -143.41 118.92 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 p -139.94 170.14 16.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.885 1.274 . . . . 0.0 109.411 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -141.34 135.28 30.35 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.014 -1.054 . . . . 0.0 110.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 m -149.49 137.92 20.79 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.32 1.048 . . . . 0.0 108.721 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.27 146.66 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.097 0.862 . . . . 0.0 109.633 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.76 171.6 20.01 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.762 1.625 . . . . 0.0 109.333 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -70.11 -28.86 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.485 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.87 166.88 31.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.578 1.081 . . . . 0.0 113.604 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.73 -45.45 74.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.964 2.105 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.91 65.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.353 0.524 . . . . 0.0 112.31 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.2 m -75.78 -38.47 58.26 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.098 -1.001 . . . . 0.0 108.998 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.57 65.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.04 -54.08 50.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -54.09 -44.59 71.35 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.981 -0.449 . . . . 0.0 112.102 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.83 -56.24 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.388 0.275 . . . . 0.0 110.411 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.27 -22.65 65.04 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -57.0 -30.97 64.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.446 1.475 . . . . 0.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -56.6 -57.74 11.08 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -42.75 96.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 127.317 2.247 . . . . 0.0 112.031 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.66 -54.95 40.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.914 0.779 . . . . 0.0 111.236 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.99 -29.91 67.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.644 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.47 -36.08 80.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -77.99 -21.52 50.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.33 1.052 . . . . 0.0 112.396 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.83 27.52 5.39 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.955 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 t -125.55 126.34 70.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.745 1.273 . . . . 0.0 108.092 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.17 98.82 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.28 -157.0 7.02 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-O 121.586 0.548 . . . . 0.0 113.838 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.65 106.51 13.65 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.607 2.363 . . . . 0.0 112.198 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -75.22 110.29 9.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.765 2.026 . . . . 0.0 108.572 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -129.14 128.46 43.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.083 0.953 . . . . 0.0 109.525 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -111.07 150.47 29.31 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.398 1.479 . . . . 0.0 113.962 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -134.03 106.59 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.21 -25.72 62.63 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 120.85 -1.156 . . . . 0.0 112.661 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.53 97.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.178 0.899 . . . . 0.0 110.494 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -99.29 -8.8 24.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.458 1.503 . . . . 0.0 110.465 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 59.56 29.75 19.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.96 2.104 . . . . 0.0 111.178 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -96.88 153.69 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.487 1.115 . . . . 0.0 108.484 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.42 101.95 3.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.6 m -101.54 136.65 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.318 1.047 . . . . 0.0 112.063 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.9 t -108.09 100.33 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.6 m -97.18 121.85 39.54 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.373 0.669 . . . . 0.0 110.044 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.065 1.346 . . . . 0.0 108.904 179.728 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.97 143.55 11.28 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.682 1.134 . . . . 0.0 112.556 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.74 122.99 39.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.5 113.42 25.26 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -74.35 126.61 31.06 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.97 119.88 38.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.74 115.71 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.48 116.97 29.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -127.76 117.02 21.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.39 1.076 . . . . 0.0 108.163 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.77 -172.26 18.39 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 119.225 0.92 . . . . 0.0 114.52 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -11.97 59.11 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 116.496 2.035 . . . . 0.0 116.496 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 m -126.18 -34.61 2.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.515 1.507 . . . . 0.0 113.067 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 170.26 17.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.114 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -131.87 164.98 24.89 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 125.938 1.695 . . . . 0.0 108.383 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.58 159.9 28.68 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -154.91 121.19 5.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -148.56 168.58 22.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.322 1.449 . . . . 0.0 109.262 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.407 ' C ' ' HG1' ' A' ' 19' ' ' THR . 2.5 p -138.39 135.31 35.17 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 120.755 -1.215 . . . . 0.0 110.22 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 18' ' ' THR . 90.0 m -149.68 138.96 21.35 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.529 1.132 . . . . 0.0 109.392 177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.44 151.24 19.74 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.93 179.13 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.898 1.279 . . . . 0.0 108.123 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -97.78 -19.6 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.326 0.65 . . . . 0.0 110.043 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.68 150.36 31.0 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.27 87.81 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.113 0.565 . . . . 0.0 110.198 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.84 71.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.749 0.82 . . . . 0.0 111.401 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -70.84 -44.31 66.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.86 97.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.936 0.494 . . . . 0.0 110.711 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.75 -52.63 38.8 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.555 2.342 . . . . 0.0 110.284 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -71.01 -36.51 72.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.85 -56.34 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.323 0.965 . . . . 0.0 109.415 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.24 -13.09 57.5 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -57.08 -38.09 72.83 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.554 1.07 . . . . 0.0 109.55 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -53.53 -56.37 17.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.049 0.94 . . . . 0.0 108.983 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.45 -44.7 89.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.98 -54.31 48.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.965 0.802 . . . . 0.0 110.317 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.44 -50.53 73.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.46 0.704 . . . . 0.0 111.015 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -32.31 72.01 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.834 0.854 . . . . 0.0 113.164 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -83.28 -5.84 59.27 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.76 33.08 10.27 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-O 118.344 -1.254 . . . . 0.0 113.527 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.66 148.09 31.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 119.348 1.574 . . . . 0.0 110.332 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -157.86 102.66 1.84 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.13 -173.06 16.03 Favored Glycine 0 C--N 1.334 0.461 0 O-C-N 122.252 -0.28 . . . . 0.0 112.462 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.16 112.71 15.4 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 127.951 2.501 . . . . 0.0 110.644 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -84.3 113.7 21.32 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.508 1.523 . . . . 0.0 111.116 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -125.36 120.47 31.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 119.293 0.951 . . . . 0.0 108.751 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -89.21 148.69 23.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -141.34 81.73 1.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -23.58 67.15 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -50.47 46.11 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -78.38 -14.16 59.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.087 0.403 . . . . 0.0 110.049 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 68.13 42.29 1.8 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.159 2.584 . . . . 0.0 111.05 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.5 p -131.96 153.91 49.83 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.92 1.288 . . . . 0.0 111.468 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.82 101.64 4.0 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 m -103.71 137.24 42.02 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.533 1.133 . . . . 0.0 112.812 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.95 110.8 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 101.553 -3.499 . . . . 0.0 101.553 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.9 m -103.37 108.62 19.93 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.523 1.129 . . . . 0.0 109.913 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.251 1.178 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.66 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.16 174.5 36.92 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -95.15 116.47 28.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.08 136.42 35.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -94.99 106.66 18.67 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 122.57 33.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.892 0.877 . . . . 0.0 108.759 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.92 121.64 64.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.08 113.56 26.92 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.82 79.25 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.46 -179.31 52.67 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 124.428 1.013 . . . . 0.0 113.043 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -8.2 56.23 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -140.95 -21.93 0.78 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.292 0.637 . . . . 0.0 112.373 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.74 169.96 17.97 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 111.23 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -134.65 165.61 24.85 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.681 1.193 . . . . 0.0 112.734 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.1 159.93 30.04 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.55 118.67 5.5 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 p -142.55 165.86 26.24 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.099 0.96 . . . . 0.0 110.782 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -133.96 136.68 44.33 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -146.34 138.08 24.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.928 1.291 . . . . 0.0 107.96 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.29 141.34 30.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.6 161.32 39.43 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.186 0.594 . . . . 0.0 110.285 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.66 -44.65 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.539 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -146.71 165.6 29.12 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.279 1.432 . . . . 0.0 107.824 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -32.93 68.79 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.468 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.19 82.78 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.953 1.251 . . . . 0.0 110.288 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 m -63.33 -36.33 83.33 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.17 5.13 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -51.85 -53.99 34.19 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.192 2.597 . . . . 0.0 112.998 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.03 -58.04 9.6 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.736 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.44 -43.39 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.526 0.731 . . . . 0.0 109.831 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -57.65 -30.92 65.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.09 0.859 . . . . 0.0 112.419 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -61.66 -31.03 71.12 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.508 1.049 . . . . 0.0 111.049 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.94 -53.24 60.24 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.06 -50.91 64.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.164 0.986 . . . . 0.0 111.345 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.94 -54.56 41.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.54 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -67.36 -29.45 68.99 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.112 0.415 . . . . 0.0 111.946 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.6 -22.35 62.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.106 0.866 . . . . 0.0 110.135 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -100.53 2.27 41.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.33 1.452 . . . . 0.0 111.728 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.99 26.79 52.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.06 -1.025 . . . . 0.0 114.685 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.1 t -120.84 120.97 63.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 118.695 1.247 . . . . 0.0 107.873 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -155.43 98.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.65 -156.08 8.29 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 125.43 1.49 . . . . 0.0 110.59 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.6 126.52 30.85 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -96.16 113.39 24.99 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.609 1.163 . . . . 0.0 110.852 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -132.97 141.46 48.32 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -122.24 150.45 42.28 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 126.614 1.966 . . . . 0.0 111.535 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -134.26 124.62 26.2 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -33.6 64.41 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.022 -1.049 . . . . 0.0 113.126 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.2 81.19 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.685 1.129 . . . . 0.0 111.158 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -94.99 -13.75 24.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.623 1.169 . . . . 0.0 111.615 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 60.15 26.98 16.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.108 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.4 p -91.25 154.84 18.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.257 1.423 . . . . 0.0 109.998 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.52 102.5 4.34 Favored 'General case' 0 N--CA 1.44 -0.953 1 N-CA-C 99.355 -4.313 . . . . 0.0 99.355 177.691 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -114.6 135.61 53.94 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.0 t -110.13 105.66 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 m -107.75 117.54 34.37 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 125.822 1.649 . . . . 0.0 108.426 -179.385 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.43 160.36 15.08 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 125.141 1.353 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m -119.53 104.06 9.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -94.42 109.92 21.74 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -74.12 118.08 16.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.81 126.33 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 124.819 1.247 . . . . 0.0 110.624 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.74 128.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -106.34 119.69 39.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -127.54 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.07 -178.78 47.33 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.772 0.701 . . . . 0.0 114.016 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -12.99 56.41 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 118.663 -0.684 . . . . 0.0 112.382 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.41 -17.48 1.53 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.862 0.756 . . . . 0.0 112.865 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 167.84 23.51 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.182 0.993 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -134.81 165.89 24.25 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.142 1.377 . . . . 0.0 108.319 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.47 163.45 32.53 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -149.65 119.54 7.12 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -140.96 176.01 9.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.615 1.566 . . . . 0.0 108.538 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 t -158.92 136.46 10.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.636 -1.915 . . . . 0.0 110.035 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -149.38 140.66 23.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.413 2.285 . . . . 0.0 108.891 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.62 149.42 24.31 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 109.841 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.28 42.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.176 1.391 . . . . 0.0 111.467 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.05 -43.76 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 122.751 0.42 . . . . 0.0 109.911 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.52 165.17 27.55 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.227 1.411 . . . . 0.0 109.335 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.4 91.06 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.08 65.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.422 1.01 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -68.57 -48.88 63.08 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.92 94.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 112.502 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -53.74 -54.26 40.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 127.462 2.305 . . . . 0.0 110.346 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -57.22 -49.64 75.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.76 -56.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 124.3 1.04 . . . . 0.0 111.06 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.46 -12.08 61.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -56.05 -33.51 65.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.337 1.426 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.98 -58.08 9.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.198 1.399 . . . . 0.0 109.526 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -39.22 91.89 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.573 1.149 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -52.67 64.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.709 0.686 . . . . 0.0 110.018 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.2 -45.52 91.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -36.28 77.19 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.666 0.786 . . . . 0.0 112.468 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -81.95 -5.28 58.18 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.578 0.751 . . . . 0.0 111.639 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 32.69 10.88 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 117.667 -1.63 . . . . 0.0 116.262 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.7 t -125.48 146.31 31.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 120.736 2.268 . . . . 0.0 110.469 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.04 98.77 1.91 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.425 -1.695 . . . . 0.0 106.425 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.24 -176.29 17.14 Favored Glycine 0 C--N 1.331 0.258 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.82 105.55 2.82 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.962 0.505 . . . . 0.0 110.158 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -68.2 104.21 1.76 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.985 1.314 . . . . 0.0 108.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -120.16 119.72 34.09 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -94.56 150.51 20.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.215 1.406 . . . . 0.0 110.631 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -137.46 83.19 1.97 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -21.16 66.62 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.323 -0.861 . . . . 0.0 110.945 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -59.29 4.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.15 0.886 . . . . 0.0 109.486 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -83.0 2.69 33.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.86 0.864 . . . . 0.0 111.154 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 54.66 50.76 15.2 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.947 1.699 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -131.9 154.65 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.804 1.642 . . . . 0.0 109.045 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -148.01 102.43 3.39 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 m -106.57 136.36 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -106.65 102.8 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 m -105.48 109.55 21.56 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.396 1.079 . . . . 0.0 109.5 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.402 1.481 . . . . 0.0 112.042 -179.252 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.667 0.746 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.18 167.68 20.34 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 127.669 2.557 . . . . 0.0 108.467 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 m -113.21 140.67 47.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -143.71 96.18 2.86 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -74.05 131.2 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.324 1.049 . . . . 0.0 108.439 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 134.64 33.63 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.499 0.719 . . . . 0.0 110.07 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.64 103.74 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 105.148 -2.168 . . . . 0.0 105.148 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -83.64 117.86 23.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.46 78.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.19 179.78 49.61 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 124.527 1.061 . . . . 0.0 112.887 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -2.27 58.31 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.898 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -139.13 -25.98 0.85 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.632 0.651 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.23 168.91 20.53 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.211 1.404 . . . . 0.0 111.291 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -137.28 166.31 24.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.306 1.442 . . . . 0.0 111.028 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.42 157.34 28.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -143.77 118.77 10.02 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.054 0.942 . . . . 0.0 109.138 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -138.71 172.38 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.762 1.625 . . . . 0.0 108.542 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -143.69 134.49 25.22 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.837 -1.164 . . . . 0.0 109.738 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m -150.44 138.42 20.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.273 1.829 . . . . 0.0 110.952 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.3 156.59 16.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.239 1.016 . . . . 0.0 109.554 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.4 166.34 31.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.503 1.521 . . . . 0.0 109.278 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -78.74 -27.61 13.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 121.213 -0.929 . . . . 0.0 111.29 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.32 154.77 42.05 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.212 1.005 . . . . 0.0 110.226 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.85 72.43 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.735 0.647 . . . . 0.0 109.654 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.8 75.49 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.223 -0.923 . . . . 0.0 111.647 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -69.89 -43.8 71.04 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.78 83.25 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.68 -46.15 84.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.665 1.186 . . . . 0.0 110.43 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.52 -45.94 92.1 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.232 -0.917 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.76 -56.72 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.621 0.768 . . . . 0.0 111.864 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -60.93 -30.32 70.14 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.02 -29.48 70.31 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.504 1.047 . . . . 0.0 112.216 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.15 -57.69 8.82 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.88 -48.08 73.45 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.229 1.811 . . . . 0.0 112.366 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.32 59.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.626 0.648 . . . . 0.0 109.923 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.62 -42.85 97.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.25 -17.53 64.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.118 0.567 . . . . 0.0 112.143 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -99.58 -4.66 30.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.836 1.654 . . . . 0.0 111.704 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.45 28.15 25.49 Favored Glycine 0 CA--C 1.526 0.755 0 O-C-N 120.754 -1.216 . . . . 0.0 113.757 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.76 145.08 34.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -167.61 99.07 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 -160.73 9.83 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-O 121.852 0.696 . . . . 0.0 112.258 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.18 105.53 9.47 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.24 1.016 . . . . 0.0 108.84 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -72.99 106.98 5.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 126.688 1.995 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -125.09 139.54 53.69 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -130.84 149.47 52.46 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.654 1.181 . . . . 0.0 111.201 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -141.66 110.08 5.99 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -20.12 63.43 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.75 -54.79 10.41 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.376 0.989 . . . . 0.0 108.859 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 m -78.6 -13.15 59.97 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.0 2.12 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mttp 59.61 53.63 4.92 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.069 1.748 . . . . 0.0 108.511 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 p -131.99 153.95 49.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.995 0.918 . . . . 0.0 110.887 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.72 102.71 4.09 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 178.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.4 m -107.2 136.48 46.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.991 0.916 . . . . 0.0 110.862 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 t -110.96 96.4 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 102.344 -3.206 . . . . 0.0 102.344 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -100.84 134.21 44.16 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.809 0.444 . . . . 0.0 111.383 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 C--O 1.246 0.879 0 C-N-CA 127.593 2.357 . . . . 0.0 107.229 179.028 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 120.244 0.069 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.71 144.22 16.29 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -98.22 145.79 26.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.92 100.39 5.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -74.55 135.26 42.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 126.29 54.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.682 0.674 . . . . 0.0 110.21 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.61 107.26 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -85.99 113.57 22.19 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.38 79.9 1.79 Allowed 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.2 174.43 43.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 114.768 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -10.32 59.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.709 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -134.67 -24.65 1.51 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.967 0.803 . . . . 0.0 112.182 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.39 26.84 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.628 1.104 . . . . 0.0 110.921 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -134.81 166.61 22.59 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 125.363 1.465 . . . . 0.0 111.547 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.44 163.05 34.31 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -146.26 119.07 8.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -142.16 -179.55 6.31 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.908 1.683 . . . . 0.0 107.93 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -158.72 137.52 11.16 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.996 -1.69 . . . . 0.0 108.292 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -148.25 139.06 23.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.774 1.63 . . . . 0.0 107.454 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -91.53 145.89 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.09 149.52 24.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.296 1.039 . . . . 0.0 109.021 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.79 -24.72 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.501 1.12 . . . . 0.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -151.84 157.94 42.59 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 119.342 0.974 . . . . 0.0 111.095 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.95 81.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.832 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.49 88.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.073 0.851 . . . . 0.0 110.702 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.1 m -69.1 -46.87 66.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.47 73.09 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.12 -55.13 38.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.147 1.779 . . . . 0.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.28 -36.84 85.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.638 1.108 . . . . 0.0 112.39 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.4 -55.98 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -61.48 -23.75 66.11 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -56.47 -29.62 61.94 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.438 0.563 . . . . 0.0 110.892 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.98 -58.61 6.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.962 0.505 . . . . 0.0 110.074 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.24 -32.95 70.44 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.042 0.537 . . . . 0.0 112.055 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.01 16.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 118.881 0.764 . . . . 0.0 110.08 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -67.37 -30.58 70.41 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.31 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.2 -25.92 64.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.689 0.795 . . . . 0.0 112.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -101.78 -14.79 17.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.818 0.847 . . . . 0.0 113.265 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.96 31.17 4.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.59 139.81 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 118.238 1.019 . . . . 0.0 110.085 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -167.87 98.41 0.46 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.126 2.171 . . . . 0.0 105.896 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.46 -165.68 10.62 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 126.33 1.919 . . . . 0.0 109.219 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.33 125.74 27.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -98.57 123.13 42.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.089 1.356 . . . . 0.0 110.866 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -138.45 147.2 43.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.373 0.988 . . . . 0.0 108.958 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -120.79 150.46 40.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.743 1.217 . . . . 0.0 111.209 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.94 94.56 3.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.605 2.362 . . . . 0.0 106.766 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -21.85 66.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.888 -0.508 . . . . 0.0 111.232 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.03 6.04 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.478 -0.764 . . . . 0.0 109.539 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -85.23 -4.63 59.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.977 1.311 . . . . 0.0 109.839 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 61.15 43.13 11.41 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.605 1.962 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -117.34 154.03 31.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 110.78 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.15 127.86 29.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -127.0 137.41 53.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.256 0.622 . . . . 0.0 111.816 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 t -112.59 112.05 38.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 102.149 -3.278 . . . . 0.0 102.149 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.8 m -114.22 107.79 16.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.811 0.695 . . . . 0.0 111.42 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.253 1.285 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.304 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.89 169.97 35.95 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -96.15 113.41 25.01 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.57 165.59 12.45 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.678 0.752 . . . . 0.0 112.18 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -123.06 107.84 12.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.371 2.268 . . . . 0.0 106.424 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.72 117.5 23.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -109.91 98.23 6.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.9 112.99 18.79 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -120.21 80.53 1.62 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.92 1.288 . . . . 0.0 109.298 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.32 177.44 52.87 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-O 121.855 0.697 . . . . 0.0 112.977 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -86.2 -9.97 55.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.811 1.245 . . . . 0.0 112.806 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.97 -22.72 1.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.402 0.681 . . . . 0.0 112.656 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.61 169.9 18.65 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.372 1.469 . . . . 0.0 110.126 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -140.66 166.5 24.59 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.23 1.412 . . . . 0.0 109.834 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.33 162.35 33.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.76 119.7 7.65 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 121.643 -0.916 . . . . 0.0 108.704 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -138.96 163.62 31.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.759 1.224 . . . . 0.0 109.518 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -130.67 135.25 47.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.924 -1.11 . . . . 0.0 109.858 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -150.08 138.68 20.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.602 1.561 . . . . 0.0 108.143 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -97.69 156.17 16.67 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.464 1.029 . . . . 0.0 110.564 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.13 166.15 30.33 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.983 0.913 . . . . 0.0 110.9 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.36 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.53 166.12 32.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.852 0.861 . . . . 0.0 111.178 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.58 64.17 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.671 1.988 . . . . 0.0 112.058 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 -40.34 67.92 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.518 0.599 . . . . 0.0 112.015 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -70.68 -42.54 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.86 76.13 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.106 0.866 . . . . 0.0 109.635 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.61 -45.52 66.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.116 2.167 . . . . 0.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -69.65 -47.91 61.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.645 1.578 . . . . 0.0 112.403 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.02 -52.98 53.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.74 -18.12 63.71 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -58.14 -31.71 67.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 120.115 1.325 . . . . 0.0 109.853 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -63.68 -38.13 89.96 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.623 1.569 . . . . 0.0 112.536 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.96 38.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.068 0.849 . . . . 0.0 111.374 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.21 -35.26 76.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.581 0.628 . . . . 0.0 110.909 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.77 -9.53 44.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.617 1.167 . . . . 0.0 111.686 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -115.1 -1.56 12.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.525 1.53 . . . . 0.0 111.162 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.07 31.55 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.44 142.14 43.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 119.711 1.756 . . . . 0.0 110.635 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -156.04 98.42 1.88 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.65 -170.94 12.02 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -74.92 111.48 10.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.398 0.679 . . . . 0.0 110.497 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.81 100.37 7.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.302 1.841 . . . . 0.0 109.646 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.3 m -125.31 136.3 53.35 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.352 1.061 . . . . 0.0 109.449 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -119.29 150.48 40.05 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -122.22 102.85 8.38 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.999 2.12 . . . . 0.0 105.432 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.23 -27.58 68.08 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.85 -1.156 . . . . 0.0 112.871 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.93 77.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.544 0.611 . . . . 0.0 111.316 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -108.08 -3.9 18.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.469 1.908 . . . . 0.0 111.086 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm 53.64 29.57 9.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.85 1.66 . . . . 0.0 111.966 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 p -97.6 153.18 18.36 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.633 1.173 . . . . 0.0 107.899 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.59 102.18 4.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 m -96.91 137.15 36.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 111.513 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.85 98.02 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 N-CA-C 103.203 -2.888 . . . . 0.0 103.203 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.3 m -102.29 109.59 21.31 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.157 0.983 . . . . 0.0 110.304 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 . . . . . 0 C--O 1.248 0.996 0 C-N-CA 124.464 1.106 . . . . 0.0 110.139 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttm . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.72 174.03 36.51 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.1 m -94.72 113.81 25.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -94.38 149.81 20.88 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -126.32 105.29 8.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -97.22 111.8 23.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.675 0.79 . . . . 0.0 108.882 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.57 141.35 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.33 123.85 47.57 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -123.74 88.88 2.99 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.51 153.12 17.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 123.351 0.5 . . . . 0.0 112.616 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 5.28 0.07 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.791 2.436 . . . . 0.0 115.659 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.4 m -140.83 -35.66 0.48 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.341 1.056 . . . . 0.0 111.472 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 164.91 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.022 0.929 . . . . 0.0 111.71 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -134.49 166.03 23.82 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.947 1.299 . . . . 0.0 108.652 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.8 164.4 34.67 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.29 119.45 5.89 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -133.58 160.42 37.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.335 1.054 . . . . 0.0 109.872 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.0 p -133.21 136.27 45.53 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.082 0.856 . . . . 0.0 110.444 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -148.5 138.66 22.46 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.752 -1.218 . . . . 0.0 109.052 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.48 140.39 37.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.893 0.77 . . . . 0.0 109.836 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 164.52 38.33 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.665 0.786 . . . . 0.0 111.247 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.85 -21.42 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.183 1.393 . . . . 0.0 111.135 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.38 142.0 27.76 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.81 69.88 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.819 1.247 . . . . 0.0 111.728 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.8 86.93 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.332 0.653 . . . . 0.0 110.161 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -31.84 72.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.16 0.984 . . . . 0.0 110.091 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.75 21.56 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.11 -50.43 69.25 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.377 1.871 . . . . 0.0 112.311 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -53.63 -39.25 64.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.409 0.549 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.83 -53.8 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.092 0.86 . . . . 0.0 109.176 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -58.75 -23.93 60.77 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -52.65 -43.6 65.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.129 0.877 . . . . 0.0 112.658 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.14 -57.71 11.86 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.415 1.086 . . . . 0.0 108.901 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -52.27 -52.85 50.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 111.312 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.23 -54.04 51.29 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.685 0.675 . . . . 0.0 111.508 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -50.21 74.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.901 0.88 . . . . 0.0 112.16 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.41 -38.65 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.981 1.312 . . . . 0.0 112.257 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -78.39 0.19 26.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.132 0.973 . . . . 0.0 112.862 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.38 22.88 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.426 -0.652 . . . . 0.0 114.487 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.23 153.36 24.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 118.858 1.329 . . . . 0.0 109.454 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.31 168.01 22.93 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.142 2.177 . . . . 0.0 107.143 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.42 -166.05 31.57 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -84.81 139.29 32.03 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -103.42 99.55 9.38 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.03 0.919 . . . . 0.0 109.504 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m -118.09 128.97 55.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 127.247 2.219 . . . . 0.0 107.071 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -116.49 149.1 40.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.199 1.4 . . . . 0.0 110.083 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.98 95.95 3.54 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.14 59.38 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.704 -0.623 . . . . 0.0 111.073 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 -58.51 3.84 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.501 1.121 . . . . 0.0 108.605 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -77.3 -13.13 59.99 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm 61.57 51.55 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.876 2.071 . . . . 0.0 111.666 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -132.47 152.14 51.63 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.091 1.756 . . . . 0.0 109.765 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.62 107.6 3.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -128.47 125.69 38.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.591 1.087 . . . . 0.0 110.79 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -83.59 110.88 18.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -123.5 127.91 49.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.429 1.092 . . . . 0.0 109.17 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.287 1.435 . . . . 0.0 107.879 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.89 126.25 41.74 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.1 m -95.43 117.92 31.23 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -94.09 120.3 34.14 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -74.37 124.81 27.19 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.04 119.04 34.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.34 108.51 24.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 102.65 -3.093 . . . . 0.0 102.65 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 tp -94.95 113.58 25.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.284 1.433 . . . . 0.0 107.725 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.01 86.13 2.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.466 1.507 . . . . 0.0 108.914 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.64 -169.61 46.07 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.94 0.781 . . . . 0.0 112.579 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HZ3' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -97.61 -6.8 32.51 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.525 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.7 m -141.64 -17.4 0.78 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.938 -1.102 . . . . 0.0 112.325 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 166.08 27.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.756 1.623 . . . . 0.0 109.434 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -136.59 166.06 24.42 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.059 1.344 . . . . 0.0 108.972 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.84 156.96 27.26 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.769 -1.333 . . . . 0.0 109.769 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -147.42 118.26 7.61 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -140.95 175.69 9.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 110.226 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 p -145.24 135.32 23.83 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.267 -0.896 . . . . 0.0 109.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -149.76 138.98 21.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.418 1.487 . . . . 0.0 107.791 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.39 147.72 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.77 179.04 9.46 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 126.051 1.74 . . . . 0.0 109.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.0 -44.31 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.453 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -151.57 176.5 11.28 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.529 1.059 . . . . 0.0 110.098 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.47 62.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.751 1.62 . . . . 0.0 113.253 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.7 73.92 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 119.618 1.099 . . . . 0.0 111.865 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.8 m -65.48 -35.81 81.99 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.564 -0.71 . . . . 0.0 110.316 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.78 63.03 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.856 0.753 . . . . 0.0 109.284 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.41 -54.09 41.88 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 128.126 2.57 . . . . 0.0 111.085 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -65.07 -53.46 45.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.718 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.78 -53.65 39.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.711 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.08 -13.42 61.91 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 117.186 -1.388 . . . . 0.0 113.381 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -58.1 -32.82 68.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.041 1.746 . . . . 0.0 109.384 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.81 -58.21 9.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -59.92 -46.88 87.96 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.579 1.152 . . . . 0.0 110.951 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -54.92 39.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.955 0.502 . . . . 0.0 111.171 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.06 -29.51 67.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 -21.43 61.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.969 0.907 . . . . 0.0 109.925 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -95.15 -1.64 51.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.334 1.854 . . . . 0.0 109.422 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.55 28.79 42.03 Favored Glycine 0 C--N 1.34 0.795 0 O-C-N 120.753 -1.217 . . . . 0.0 114.699 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 t -126.36 127.02 70.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 118.617 1.208 . . . . 0.0 110.28 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -150.9 97.53 2.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.44 -156.95 8.4 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 124.347 0.975 . . . . 0.0 111.321 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.42 113.01 19.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.977 1.311 . . . . 0.0 110.243 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -88.52 104.89 17.24 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.15 1.78 . . . . 0.0 109.76 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 120.48 32.19 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.16 0.981 . . . . 0.0 110.213 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -93.26 150.55 20.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.109 1.764 . . . . 0.0 111.408 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -136.33 94.41 3.02 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -34.79 78.74 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.649 -0.657 . . . . 0.0 111.793 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -51.73 66.25 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.303 1.041 . . . . 0.0 109.865 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -80.84 -13.95 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.052 0.941 . . . . 0.0 110.656 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.256 9.4 ttmt 57.61 51.95 8.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.835 2.854 . . . . 0.0 110.76 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -132.48 154.38 49.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 109.221 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.9 101.67 3.45 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m -101.62 137.31 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.955 0.902 . . . . 0.0 112.801 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.4 t -109.78 103.52 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 103.906 -2.627 . . . . 0.0 103.906 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -112.62 109.18 18.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.724 0.693 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' CD ' ' HZ3' ' A' ' 11' ' ' LYS . 57.1 tt0 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 126.239 1.815 . . . . 0.0 107.536 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtp . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.79 163.24 32.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.604 -0.999 . . . . 0.0 110.604 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 m -95.66 104.39 16.31 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -94.64 97.21 9.94 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.9 0.857 . . . . 0.0 109.741 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.43 110.16 14.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.62 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.516 1.127 . . . . 0.0 110.927 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.29 123.97 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 126.374 1.869 . . . . 0.0 106.764 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.67 113.89 25.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.02 80.0 1.48 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.28 -175.66 48.84 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 124.221 0.915 . . . . 0.0 114.125 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HZ1' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -94.85 -3.25 49.21 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 112.809 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -141.33 -25.78 0.71 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 120.799 -1.188 . . . . 0.0 112.361 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 169.42 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.287 1.435 . . . . 0.0 110.002 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -139.51 165.67 26.61 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.723 1.609 . . . . 0.0 108.464 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.75 161.75 33.49 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.08 119.04 8.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.817 0.809 . . . . 0.0 109.161 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 p -133.88 171.13 14.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.159 1.783 . . . . 0.0 109.127 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -157.17 137.42 12.79 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 120.386 -1.446 . . . . 0.0 111.192 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 m -148.52 138.25 22.17 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.445 1.898 . . . . 0.0 107.795 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.41 138.58 31.32 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.132 0.878 . . . . 0.0 108.811 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.98 172.45 12.67 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 111.359 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.09 -43.5 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.113 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.61 161.7 36.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.664 0.785 . . . . 0.0 109.912 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.26 81.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.041 0.937 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.26 -27.66 66.01 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -71.13 -49.44 44.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.05 82.41 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.696 0.798 . . . . 0.0 111.122 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -55.13 -54.77 39.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.772 2.029 . . . . 0.0 110.541 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -71.19 -35.65 71.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -70.51 -56.27 11.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 119.097 0.862 . . . . 0.0 109.997 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -68.59 -10.23 54.63 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.93 -37.66 61.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.959 1.254 . . . . 0.0 109.544 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -51.08 -56.91 10.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 109.27 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -32.08 73.59 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.411 1.484 . . . . 0.0 113.771 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.6 34.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.063 0.847 . . . . 0.0 109.545 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.25 -35.53 80.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.77 -13.21 58.96 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.725 -0.61 . . . . 0.0 112.318 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -111.12 1.91 17.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.517 1.127 . . . . 0.0 111.834 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.72 43.57 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.901 0.773 . . . . 0.0 113.995 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 t -119.75 139.76 46.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 118.703 1.252 . . . . 0.0 110.975 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -157.06 98.28 1.73 Allowed 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.54 -168.63 11.34 Favored Glycine 0 C--N 1.331 0.259 0 O-C-N 121.903 -0.498 . . . . 0.0 112.912 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -77.0 104.78 7.68 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.41 0.684 . . . . 0.0 110.308 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -72.59 116.93 13.65 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.473 1.509 . . . . 0.0 107.869 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -134.56 138.76 44.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.356 1.062 . . . . 0.0 108.276 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -107.54 150.3 27.0 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.719 1.608 . . . . 0.0 113.12 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -131.27 102.28 5.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.858 2.463 . . . . 0.0 105.755 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -25.21 60.18 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.5 -56.2 5.1 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.302 0.641 . . . . 0.0 109.757 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -78.67 -11.96 60.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.786 0.834 . . . . 0.0 110.387 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 58.91 57.48 3.58 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.656 1.982 . . . . 0.0 109.729 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.68 154.74 49.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.563 1.545 . . . . 0.0 110.022 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.61 118.07 15.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 102.099 -3.297 . . . . 0.0 102.099 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.9 m -120.38 136.23 54.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.776 0.716 . . . . 0.0 111.102 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.5 t -110.22 101.45 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.0 m -100.18 110.04 22.3 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.947 1.299 . . . . 0.0 110.626 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CD ' ' HZ1' ' A' ' 11' ' ' LYS . 60.4 tt0 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.562 1.545 . . . . 0.0 112.379 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.21 174.9 37.02 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -96.52 104.19 16.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -94.2 115.68 27.98 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -74.42 127.12 32.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.13 128.59 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.19 124.54 68.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.02 113.17 25.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -118.33 79.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.77 173.3 47.14 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -3.09 58.85 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -136.92 -25.19 1.1 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.999 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 170.13 18.22 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.425 1.49 . . . . 0.0 110.332 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -137.53 166.27 24.28 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.823 1.249 . . . . 0.0 110.925 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.78 162.18 31.48 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -151.56 119.06 6.03 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.001 0.901 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.8 p -141.55 -179.51 6.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.628 1.571 . . . . 0.0 109.056 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -158.84 136.14 9.95 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 119.899 -1.75 . . . . 0.0 108.205 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -149.01 139.0 22.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.366 1.466 . . . . 0.0 109.793 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.55 142.05 27.89 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.17 167.58 23.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 122.783 0.433 . . . . 0.0 110.647 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.86 -38.38 81.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.488 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -152.17 166.43 31.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.086 0.857 . . . . 0.0 109.661 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.51 75.06 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 125.133 1.373 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.95 80.24 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.497 0.719 . . . . 0.0 110.817 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -65.52 -48.96 70.72 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.09 77.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.242 0.617 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.45 -54.55 38.42 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.973 1.709 . . . . 0.0 110.249 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.19 -41.67 89.05 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.742 -0.598 . . . . 0.0 112.258 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.09 -56.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.51 -14.52 51.88 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -62.99 -22.28 66.73 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.362 1.437 . . . . 0.0 109.301 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.91 -58.06 9.37 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -55.94 -45.23 78.87 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.773 2.029 . . . . 0.0 111.662 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -54.37 47.64 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.117 0.871 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.43 -40.45 94.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.385 0.674 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.78 -9.82 59.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.058 2.543 . . . . 0.0 113.523 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -111.65 -4.34 14.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.743 0.817 . . . . 0.0 112.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.18 30.33 17.24 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 118.52 -1.156 . . . . 0.0 114.705 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -126.9 147.62 31.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.174 1.487 . . . . 0.0 108.801 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -158.19 98.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.44 -179.12 17.25 Favored Glycine 0 C--O 1.227 -0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 112.787 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.71 105.18 2.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 110.87 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -67.37 107.64 2.49 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.39 1.476 . . . . 0.0 107.825 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -125.42 154.03 42.57 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.52 150.1 51.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.494 1.118 . . . . 0.0 111.687 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -131.94 105.43 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.257 1.823 . . . . 0.0 106.251 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.0 -19.52 62.51 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.24 -52.36 7.82 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 m -78.78 -14.29 59.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.269 0.628 . . . . 0.0 109.992 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 60.15 54.59 4.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.934 2.094 . . . . 0.0 109.615 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.8 p -132.65 154.17 50.37 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.176 1.39 . . . . 0.0 112.096 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.65 109.55 9.8 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 102.818 -3.03 . . . . 0.0 102.818 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 m -113.55 136.18 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -99.71 98.97 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 101.3 -3.593 . . . . 0.0 101.3 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -101.35 99.94 10.36 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.688 1.195 . . . . 0.0 110.566 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.71 174.68 15.85 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.8 m -141.76 104.19 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -94.59 128.94 41.56 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -86.57 103.32 14.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.163 1.785 . . . . 0.0 106.993 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.03 116.54 26.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.36 116.59 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp -84.35 113.67 21.32 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 104.702 -2.333 . . . . 0.0 104.702 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.89 80.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.5 159.71 29.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -5.15 39.18 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.064 0.932 . . . . 0.0 113.29 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 m -127.55 -33.44 2.32 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.407 0.683 . . . . 0.0 112.563 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.64 165.3 29.98 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.78 1.232 . . . . 0.0 109.784 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -139.36 165.57 26.86 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.175 0.99 . . . . 0.0 112.425 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.71 164.89 32.85 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.21 119.58 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -136.12 171.83 13.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.966 0.906 . . . . 0.0 109.838 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 p -139.68 136.59 34.4 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.066 0.946 . . . . 0.0 108.622 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -149.32 138.32 21.28 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.27 142.23 27.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.476 0.71 . . . . 0.0 109.111 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.38 168.41 25.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.712 1.205 . . . . 0.0 111.22 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.02 -20.09 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.816 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 152.9 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.872 1.215 . . . . 0.0 112.16 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.54 98.98 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.009 0.924 . . . . 0.0 109.077 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.67 93.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.217 1.007 . . . . 0.0 110.043 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 m -59.17 -48.9 79.92 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.351 -0.843 . . . . 0.0 108.893 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.87 78.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.598 0.359 . . . . 0.0 110.652 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.89 -54.17 50.08 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.663 1.585 . . . . 0.0 111.617 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.14 -48.44 76.26 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.524 0.73 . . . . 0.0 110.803 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.63 -55.18 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 122.758 0.423 . . . . 0.0 109.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.2 -13.75 30.88 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 117.445 -1.264 . . . . 0.0 114.393 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -59.42 -28.57 67.05 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.993 1.724 . . . . 0.0 109.735 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.91 -58.56 8.01 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -42.63 84.38 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.787 1.635 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.78 -55.02 40.53 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.93 0.332 . . . . 0.0 110.723 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.99 -29.89 63.38 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.74 -28.44 69.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.761 1.224 . . . . 0.0 109.481 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.69 -2.82 47.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.16 1.384 . . . . 0.0 112.036 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 31.15 25.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.17 -0.956 . . . . 0.0 114.266 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.56 119.08 57.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 119.244 1.522 . . . . 0.0 109.614 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.72 97.06 2.85 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.02 -163.88 11.56 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.74 117.38 20.58 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -84.9 133.13 34.3 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.87 1.268 . . . . 0.0 111.081 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -144.4 142.8 30.58 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -118.02 149.22 41.32 Favored 'General case' 0 C--O 1.228 -0.041 0 C-N-CA 126.636 1.974 . . . . 0.0 111.424 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' HB2' ' HG1' ' A' ' 52' ' ' THR . 2.0 m-20 -141.54 93.54 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -24.16 67.37 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.513 -0.742 . . . . 0.0 111.92 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.56 70.64 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.585 1.154 . . . . 0.0 112.683 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -119.91 2.63 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.915 2.086 . . . . 0.0 110.243 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mttt 55.89 23.32 6.44 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.088 2.155 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.443 ' HG1' ' HB2' ' A' ' 47' ' ' ASP . 5.9 p -80.89 149.3 29.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.02 107.64 3.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.1 m -118.69 136.19 54.07 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.032 -0.417 . . . . 0.0 110.053 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.77 96.53 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 100.387 -3.931 . . . . 0.0 100.387 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 m -93.29 108.77 20.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.84 0.829 . . . . 0.0 111.362 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.145 0 N-CA-C 104.041 -2.578 . . . . 0.0 104.041 178.414 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.01 175.53 37.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 126.156 1.836 . . . . 0.0 109.838 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -95.35 114.13 25.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.331 1.453 . . . . 0.0 109.388 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -94.81 121.54 36.51 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -76.31 106.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.39 115.62 21.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.98 123.28 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.42 113.36 25.66 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -121.06 79.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.32 176.9 40.64 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-O 122.792 1.218 . . . . 0.0 114.863 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HZ2' ' CD ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -80.45 -15.64 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.191 -1.504 . . . . 0.0 112.911 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -134.81 -25.77 1.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 169.79 18.57 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.641 1.176 . . . . 0.0 110.446 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -135.26 166.84 22.19 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.19 1.396 . . . . 0.0 110.784 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.29 160.03 29.86 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -152.3 118.52 5.55 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -141.33 170.44 15.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.431 1.092 . . . . 0.0 109.9 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -142.83 135.63 27.94 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.71 -1.244 . . . . 0.0 109.138 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -150.26 138.42 20.3 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.647 1.179 . . . . 0.0 109.869 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.08 144.72 25.24 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.9 168.3 23.39 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.5 -41.08 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.486 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.56 170.44 21.97 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.196 0.907 . . . . 0.0 109.848 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.14 -39.07 63.24 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.259 1.423 . . . . 0.0 112.437 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.93 66.32 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.773 1.229 . . . . 0.0 111.518 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 m -76.04 -49.21 18.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.51 64.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.578 0.751 . . . . 0.0 111.425 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -55.09 -54.85 37.92 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.491 1.917 . . . . 0.0 111.415 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.68 -29.57 61.27 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.14 -56.32 13.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 120.045 1.293 . . . . 0.0 108.194 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -69.08 -12.08 61.37 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.01 -0.995 . . . . 0.0 113.495 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -51.11 -41.32 59.95 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.726 1.148 . . . . 0.0 109.696 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.73 -58.11 8.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.889 1.276 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -39.91 89.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.674 1.59 . . . . 0.0 112.514 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -55.71 31.42 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.709 0.686 . . . . 0.0 111.423 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.66 -31.71 69.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.998 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.9 -37.95 89.27 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 117.817 0.28 . . . . 0.0 110.605 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -75.68 -13.59 60.33 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.024 0.53 . . . . 0.0 111.32 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.52 23.23 9.01 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.04 1.305 . . . . 0.0 113.936 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 t -126.71 116.97 46.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 CA-C-N 118.826 1.313 . . . . 0.0 111.007 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -146.87 97.53 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.36 -156.51 7.86 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 125.141 1.353 . . . . 0.0 110.215 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.75 111.67 17.41 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -78.19 135.97 37.73 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -146.09 123.88 11.93 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -102.83 149.05 24.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.947 0.899 . . . . 0.0 110.748 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.66 92.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.88 59.15 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.46 -56.15 6.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.272 0.942 . . . . 0.0 108.833 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 p -78.92 -10.58 59.85 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.775 -0.578 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 63.87 42.02 6.31 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 126.585 1.954 . . . . 0.0 108.944 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.7 p -113.9 154.21 27.91 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.822 0.849 . . . . 0.0 110.097 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.75 101.35 4.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 102.174 -3.269 . . . . 0.0 102.174 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -94.22 137.23 33.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 126.841 2.056 . . . . 0.0 111.701 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 t -114.71 101.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.9 m -103.81 113.1 26.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.026 0.931 . . . . 0.0 109.95 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.471 ' CD ' ' HZ2' ' A' ' 11' ' ' LYS . 68.7 tt0 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 124.63 1.172 . . . . 0.0 110.304 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttm . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.78 125.52 7.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.953 1.263 . . . . 0.0 110.599 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m -94.79 107.56 19.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -93.16 129.55 39.13 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.492 1.139 . . . . 0.0 108.634 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -91.1 111.68 23.25 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.178 -1.828 . . . . 0.0 106.599 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 134.73 34.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.963 0.905 . . . . 0.0 109.381 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.7 122.6 47.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -97.45 119.09 35.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.144 2.177 . . . . 0.0 105.728 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.34 80.1 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -168.06 44.36 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.463 1.03 . . . . 0.0 112.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -18.29 17.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.617 1.167 . . . . 0.0 112.725 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 m -115.41 -33.57 5.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.642 0.777 . . . . 0.0 111.743 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.46 168.62 21.44 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.864 1.666 . . . . 0.0 110.556 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -132.36 163.03 29.6 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.12 1.768 . . . . 0.0 107.432 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.79 170.31 34.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.35 119.53 4.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -138.59 178.54 7.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.951 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -139.48 137.1 35.25 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.567 -1.333 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 m -148.39 137.5 21.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.35 141.56 29.52 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.562 -0.711 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.54 161.23 40.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.722 1.609 . . . . 0.0 111.19 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.28 -39.12 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.36 161.78 37.16 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.418 1.087 . . . . 0.0 109.53 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.84 66.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.991 0.916 . . . . 0.0 111.869 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.79 92.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.404 1.002 . . . . 0.0 111.413 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -70.01 -39.17 76.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.56 -52.91 63.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.73 0.812 . . . . 0.0 109.283 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.93 -53.85 29.26 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 126.786 2.034 . . . . 0.0 110.355 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.8 -52.41 64.09 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.921 1.288 . . . . 0.0 111.703 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.41 -54.0 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 123.044 0.538 . . . . 0.0 110.09 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -54.11 -30.6 49.36 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.633 1.173 . . . . 0.0 112.548 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -52.95 -34.41 55.45 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 111.858 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -69.4 -54.68 13.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.895 0.878 . . . . 0.0 109.661 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.98 -47.81 83.82 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.36 31.35 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.41 -38.41 90.94 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.09 -17.64 64.43 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.927 0.491 . . . . 0.0 111.858 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -100.29 0.16 39.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.871 1.269 . . . . 0.0 110.454 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 23.32 44.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.097 -1.002 . . . . 0.0 113.791 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.95 127.73 75.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 CA-C-N 118.783 1.291 . . . . 0.0 108.152 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -157.17 106.99 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.7 -164.48 10.82 Favored Glycine 0 C--O 1.226 -0.369 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.04 118.06 11.47 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.168 0.587 . . . . 0.0 110.226 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -83.88 99.77 10.56 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 127.042 2.137 . . . . 0.0 111.18 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.94 134.08 54.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.471 0.708 . . . . 0.0 109.199 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -113.17 149.54 33.49 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.486 2.314 . . . . 0.0 111.416 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.32 113.4 8.34 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 126.03 1.732 . . . . 0.0 107.274 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -25.8 60.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.381 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.27 87.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.413 1.006 . . . . 0.0 111.388 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -1.75 25.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.953 0.901 . . . . 0.0 109.593 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 58.8 18.79 6.34 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.357 1.863 . . . . 0.0 110.946 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 p -83.81 136.83 33.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.917 0.887 . . . . 0.0 109.671 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.23 102.12 6.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 101.894 -3.372 . . . . 0.0 101.894 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -104.75 136.49 44.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.421 0.689 . . . . 0.0 112.367 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.24 106.01 19.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 101.558 -3.497 . . . . 0.0 101.558 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.08 108.77 14.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.989 0.813 . . . . 0.0 111.88 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.247 0.951 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 178.124 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 mtt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.88 145.55 45.2 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -104.93 118.47 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -94.27 113.51 25.43 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.01 117.49 19.39 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.55 123.56 33.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.4 108.88 22.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.31 112.91 19.72 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 102.421 -3.178 . . . . 0.0 102.421 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -119.51 78.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.05 179.66 48.53 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 114.949 -1.023 . . . . 0.0 113.136 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.06 -8.48 45.75 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.588 1.555 . . . . 0.0 112.419 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -133.58 -31.93 1.17 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.034 0.833 . . . . 0.0 111.628 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 169.38 19.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.14 1.376 . . . . 0.0 109.083 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -140.4 167.81 21.28 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.873 1.269 . . . . 0.0 112.898 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.56 163.1 29.86 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -151.93 117.96 5.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 106.16 -1.792 . . . . 0.0 106.16 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 p -145.31 171.28 14.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.681 1.192 . . . . 0.0 110.971 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -139.53 134.39 32.14 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.294 -0.879 . . . . 0.0 110.907 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 m -149.88 137.52 20.03 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.51 147.69 23.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.919 1.236 . . . . 0.0 108.281 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.64 172.88 12.36 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.689 1.595 . . . . 0.0 108.955 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.2 p -78.64 -25.32 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 118.407 0.548 . . . . 0.0 110.978 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -158.81 168.42 26.86 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.697 0.681 . . . . 0.0 110.298 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.16 95.09 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.184 0.994 . . . . 0.0 110.588 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -44.81 74.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.252 0.621 . . . . 0.0 110.676 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -66.69 -48.94 67.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.79 60.65 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.963 0.505 . . . . 0.0 110.511 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -53.63 -54.09 42.56 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.596 1.558 . . . . 0.0 111.311 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -64.42 -45.42 87.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.37 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.95 -53.08 48.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 110.05 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -60.92 -14.49 22.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.48 -30.03 66.67 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 119.5 1.045 . . . . 0.0 110.388 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -56.6 -58.01 9.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.73 -42.32 92.86 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.813 2.045 . . . . 0.0 111.937 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.27 43.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.876 0.762 . . . . 0.0 109.813 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -45.64 84.08 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.661 0.784 . . . . 0.0 109.38 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.77 -35.3 77.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.681 1.193 . . . . 0.0 112.755 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.43 -5.94 58.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.183 0.593 . . . . 0.0 111.574 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 29.77 36.65 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-O 118.829 -0.984 . . . . 0.0 115.34 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.32 157.51 38.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 118.546 1.173 . . . . 0.0 109.097 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.49 168.71 21.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 129.114 2.966 . . . . 0.0 105.679 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.05 -155.75 27.1 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 107.648 -2.181 . . . . 0.0 107.648 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -98.62 106.95 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -78.57 102.1 7.76 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.666 1.986 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.3 m -125.2 139.31 53.85 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -107.89 150.1 27.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.901 1.281 . . . . 0.0 111.756 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -127.01 101.04 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 127.498 2.319 . . . . 0.0 104.809 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -37.21 86.89 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 118.79 -0.624 . . . . 0.0 111.876 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.52 20.97 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.518 1.054 . . . . 0.0 109.458 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -78.71 -13.96 59.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 60.45 46.2 10.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.272 2.229 . . . . 0.0 109.676 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -120.66 154.01 36.11 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.516 1.526 . . . . 0.0 108.635 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.62 101.77 4.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.769 -3.049 . . . . 0.0 102.769 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.2 m -104.93 136.69 43.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.257 0.623 . . . . 0.0 112.139 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -108.08 98.17 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 104.014 -2.587 . . . . 0.0 104.014 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 m -115.14 145.25 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.222 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.474 0.654 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.32 154.62 41.11 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 124.371 0.986 . . . . 0.0 111.732 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m -135.21 115.07 12.93 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -95.53 139.97 31.04 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -81.08 108.97 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.037 0.535 . . . . 0.0 110.314 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.01 100.07 10.23 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.429 2.292 . . . . 0.0 110.139 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.54 128.66 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.207 1.403 . . . . 0.0 108.105 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -98.68 116.03 30.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 127.409 2.283 . . . . 0.0 106.336 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -119.87 82.14 1.84 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.7 159.97 14.58 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.232 0.92 . . . . 0.0 112.329 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -0.31 2.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -141.23 -29.78 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.011 1.278 . . . . 0.0 113.42 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 163.59 35.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 108.243 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -141.0 166.13 25.63 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 125.078 1.351 . . . . 0.0 108.935 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.13 161.79 33.2 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.35 119.14 3.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.9 p -143.1 169.5 17.47 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.758 1.223 . . . . 0.0 109.065 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 p -136.08 134.08 38.02 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.322 1.419 . . . . 0.0 110.986 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -148.75 139.19 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.682 1.993 . . . . 0.0 108.298 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.54 156.19 16.91 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.36 0.982 . . . . 0.0 110.36 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.13 175.63 13.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.678 2.391 . . . . 0.0 108.479 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.19 -27.06 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 120.158 1.345 . . . . 0.0 111.784 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.16 163.51 35.99 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.097 0.559 . . . . 0.0 110.601 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.74 -36.82 70.18 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.025 1.33 . . . . 0.0 110.836 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.65 93.69 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.019 0.927 . . . . 0.0 110.95 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 m -68.15 -49.12 63.04 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.04 -47.97 74.07 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.887 0.475 . . . . 0.0 110.475 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -51.66 -51.27 57.17 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.661 1.984 . . . . 0.0 110.823 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -74.43 -35.19 63.37 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.606 -0.684 . . . . 0.0 112.725 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.22 -54.71 21.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.82 -15.2 61.45 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.223 -1.37 . . . . 0.0 113.019 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -51.81 -41.7 61.93 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.73 1.604 . . . . 0.0 113.052 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -58.35 -56.22 24.95 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.55 -52.99 63.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.693 1.597 . . . . 0.0 112.102 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.13 -54.3 46.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.488 0.715 . . . . 0.0 112.009 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.21 -36.84 85.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.446 0.466 . . . . 0.0 110.899 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.31 -35.2 80.27 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.167 0.587 . . . . 0.0 110.54 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.16 -11.22 60.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.971 0.909 . . . . 0.0 110.268 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.87 57.56 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-O 118.576 -1.125 . . . . 0.0 112.819 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -115.59 137.04 50.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 119.254 1.527 . . . . 0.0 108.221 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -151.71 167.3 28.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.315 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -156.86 28.98 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 124.67 30.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.547 1.939 . . . . 0.0 106.458 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -101.74 100.37 10.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 m -135.74 150.35 49.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.658 1.983 . . . . 0.0 108.12 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -122.03 150.03 42.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.422 1.489 . . . . 0.0 112.063 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.11 101.02 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 128.307 2.643 . . . . 0.0 106.482 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -38.54 86.26 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.65 53.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.277 0.944 . . . . 0.0 111.408 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.15 -14.47 59.09 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.7 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 61.43 53.38 3.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.489 2.315 . . . . 0.0 107.917 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 p -131.77 154.91 48.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.339 1.856 . . . . 0.0 111.499 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.53 102.01 3.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 103.263 -2.866 . . . . 0.0 103.263 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -110.11 126.32 53.92 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.926 1.239 . . . . 0.0 110.214 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.4 101.02 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -114.7 111.96 22.1 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.255 1.388 0 CA-C-O 118.135 -0.935 . . . . 0.0 109.149 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtm . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.13 146.71 30.94 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -95.37 122.02 37.64 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.259 1.024 . . . . 0.0 109.597 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.18 127.77 43.46 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -84.7 117.51 23.84 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.79 114.62 27.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.52 137.05 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.07 121.21 44.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.26 80.34 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.02 160.46 16.85 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.52 0.581 . . . . 0.0 111.973 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -9.89 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.093 1.757 . . . . 0.0 115.254 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -136.72 -23.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 119.87 1.213 . . . . 0.0 113.787 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 158.65 43.98 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.016 0.926 . . . . 0.0 109.467 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -134.31 165.86 24.15 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.456 1.102 . . . . 0.0 109.963 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.94 160.26 28.96 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -148.85 118.98 7.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -144.11 170.18 16.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.351 1.061 . . . . 0.0 108.857 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.35 136.9 28.34 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.9 -1.125 . . . . 0.0 111.221 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.1 m -148.56 138.94 22.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.913 1.285 . . . . 0.0 108.537 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.76 142.91 28.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.66 0.664 . . . . 0.0 111.202 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.19 166.12 34.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.342 0.657 . . . . 0.0 111.768 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.59 -32.47 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.121 0.968 . . . . 0.0 109.99 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -154.23 166.26 33.71 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.93 69.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.895 -0.574 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -40.5 65.37 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.614 1.166 . . . . 0.0 112.425 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 m -70.85 -46.96 61.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.4 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.083 0.553 . . . . 0.0 112.491 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.53 -55.58 24.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.546 1.938 . . . . 0.0 110.53 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -75.48 -35.99 60.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -55.43 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 120.806 1.639 . . . . 0.0 110.52 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -71.92 -8.59 55.34 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -51.26 -42.89 61.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.571 1.532 . . . . 0.0 113.032 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -55.71 -58.91 5.85 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 124.8 1.24 . . . . 0.0 108.787 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -56.37 -45.73 80.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.871 1.268 . . . . 0.0 112.428 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.539 0.609 . . . . 0.0 111.841 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.64 -29.96 63.9 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.693 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.71 -29.75 70.32 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.385 0.674 . . . . 0.0 109.716 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.82 -12.93 46.5 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.009 1.324 . . . . 0.0 110.69 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.32 18.48 16.71 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.269 -1.295 . . . . 0.0 115.676 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.72 129.26 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 119.902 1.851 . . . . 0.0 109.66 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -143.01 127.11 17.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.41 -156.82 10.64 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.85 106.35 14.61 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.205 1.802 . . . . 0.0 109.515 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -84.02 101.67 11.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.104 1.362 . . . . 0.0 108.746 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 m -115.59 120.56 39.83 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.987 0.812 . . . . 0.0 109.661 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -96.88 145.64 25.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.201 1.401 . . . . 0.0 109.33 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.46 109.59 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -30.97 63.67 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -46.59 71.28 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.004 1.274 . . . . 0.0 109.212 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 m -78.66 -14.49 59.28 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 tttp 51.53 50.75 18.16 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.515 2.726 . . . . 0.0 111.098 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -132.59 154.18 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.459 1.504 . . . . 0.0 109.9 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.44 102.57 4.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -115.16 136.33 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.421 -0.799 . . . . 0.0 112.805 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -95.3 103.12 14.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -112.61 127.35 56.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 126.59 1.956 . . . . 0.0 105.987 179.731 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.166 0.508 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.9 113.7 3.02 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 126.513 2.006 . . . . 0.0 110.502 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m -94.74 109.42 21.38 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -95.37 115.0 26.83 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -78.43 111.01 14.01 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.6 117.93 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.05 119.26 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.58 120.5 30.93 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -135.07 82.69 1.97 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.07 0.948 . . . . 0.0 111.163 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 160.96 18.89 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.821 0.724 . . . . 0.0 111.663 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -0.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.083 3.353 . . . . 0.0 119.284 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.8 m -141.84 -35.47 0.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 122.738 2.517 . . . . 0.0 113.515 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 169.42 19.2 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.96 0.8 . . . . 0.0 109.558 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -140.67 167.12 22.92 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.963 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.24 152.37 24.27 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -143.91 117.58 9.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -143.25 163.37 33.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.56 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.41 135.66 44.76 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.341 -0.849 . . . . 0.0 109.298 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 m -149.24 138.71 21.64 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 126.879 2.072 . . . . 0.0 105.989 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.37 139.48 37.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.316 0.962 . . . . 0.0 110.086 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 172.11 13.32 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.508 1.123 . . . . 0.0 110.81 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.36 -19.88 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.44 0.696 . . . . 0.0 110.983 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 163.17 40.57 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.707 0.685 . . . . 0.0 109.705 -179.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.71 97.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.522 0.729 . . . . 0.0 111.39 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.46 77.34 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.986 0.914 . . . . 0.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.5 m -64.7 -30.65 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.133 -0.98 . . . . 0.0 110.067 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.9 57.23 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.258 -0.902 . . . . 0.0 109.516 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.63 -54.26 46.33 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 127.663 2.385 . . . . 0.0 111.296 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -64.55 -43.22 94.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.792 1.237 . . . . 0.0 113.515 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.93 -55.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.96 -12.73 57.02 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.91 -35.17 68.69 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.927 1.239 . . . . 0.0 110.317 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -56.57 -55.53 32.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -39.66 94.86 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 126.37 1.868 . . . . 0.0 111.478 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.25 -54.64 44.54 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.194 0.906 . . . . 0.0 111.165 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -69.07 -36.38 77.56 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.808 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.2 -19.6 63.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.27 -11.89 23.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.179 0.992 . . . . 0.0 110.619 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.7 31.82 9.09 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 120.852 -1.155 . . . . 0.0 114.372 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.57 145.26 34.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.518 1.152 . . . . 0.0 108.114 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -148.06 166.92 26.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.524 1.929 . . . . 0.0 105.879 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.71 -158.49 29.09 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 119.4 1.0 . . . . 0.0 111.946 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -96.88 105.9 18.12 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.425 1.89 . . . . 0.0 109.182 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -77.76 113.94 16.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.4 1.08 . . . . 0.0 108.425 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 m -135.4 121.35 19.88 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -93.67 149.34 21.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.107 0.963 . . . . 0.0 108.765 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -124.23 106.48 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.096 1.759 . . . . 0.0 106.342 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -17.64 64.7 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.56 5.64 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.404 1.002 . . . . 0.0 110.677 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -78.6 -13.17 59.96 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 52.84 41.25 31.75 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.284 2.234 . . . . 0.0 111.636 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.4 p -117.34 154.23 31.63 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.635 1.574 . . . . 0.0 106.865 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.41 101.81 4.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.75 -3.056 . . . . 0.0 102.75 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 136.16 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 95.03 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 1 N-CA-C 97.102 -5.147 . . . . 0.0 97.102 176.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 m -113.29 145.83 40.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 108.604 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.346 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mtt . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.77 168.39 36.26 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.076 -1.609 . . . . 0.0 109.076 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m -128.01 129.96 47.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 118.041 0.92 . . . . 0.0 110.918 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -94.56 120.63 35.09 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -74.38 105.63 5.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -87.88 109.5 19.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.858 0.863 . . . . 0.0 110.237 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.65 143.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.235 1.414 . . . . 0.0 107.292 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.48 129.62 56.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.54 80.08 1.83 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.89 172.65 54.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 124.706 1.146 . . . . 0.0 111.717 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -7.83 55.99 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.55 -19.76 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 160.61 42.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -125.96 166.93 16.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.216 1.407 . . . . 0.0 110.178 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.35 161.36 30.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.11 122.34 9.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -142.79 165.99 25.86 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.239 1.416 . . . . 0.0 110.885 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -149.02 135.38 19.33 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.455 -0.778 . . . . 0.0 110.307 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.5 m -148.66 138.29 22.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.412 1.885 . . . . 0.0 106.313 177.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.41 121.27 35.77 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 171.79 9.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.253 1.421 . . . . 0.0 109.22 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.33 -37.79 32.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.058 -0.496 . . . . 0.0 109.742 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.38 166.0 27.65 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.36 0.664 . . . . 0.0 110.229 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.87 -43.49 77.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.228 1.411 . . . . 0.0 111.772 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 118.337 0.517 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.5 m -66.13 -49.17 68.38 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.7 84.56 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.821 0.448 . . . . 0.0 110.741 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -58.75 -54.41 47.44 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.503 1.521 . . . . 0.0 109.694 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -61.92 -35.87 79.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.18 -56.91 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.468 1.031 . . . . 0.0 111.43 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -65.79 -14.66 61.8 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -57.11 -31.19 65.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.434 1.47 . . . . 0.0 110.635 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.32 -56.51 20.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.115 1.366 . . . . 0.0 107.863 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.83 -44.88 90.99 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 110.724 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.28 36.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.645 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -70.75 -32.12 69.18 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.622 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.05 -31.74 72.95 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.055 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -93.23 -0.27 56.87 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.675 0.79 . . . . 0.0 112.605 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.81 32.68 12.4 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.073 -1.404 . . . . 0.0 115.814 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.7 t -120.79 133.03 68.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 119.976 1.888 . . . . 0.0 109.425 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -148.03 98.54 2.95 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.317 1.047 . . . . 0.0 109.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.43 -172.69 18.58 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 123.519 0.581 . . . . 0.0 112.255 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.53 125.38 26.53 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.319 1.047 . . . . 0.0 111.108 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -88.4 99.92 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.918 1.687 . . . . 0.0 108.838 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.7 m -120.23 122.89 41.91 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.15 0.58 . . . . 0.0 110.091 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -99.14 149.63 22.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.743 2.017 . . . . 0.0 111.983 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -137.35 92.0 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -65.95 -19.8 65.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.213 1.405 . . . . 0.0 113.365 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.6 -50.81 9.48 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -78.46 -14.21 59.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 61.55 33.06 18.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 127.846 2.458 . . . . 0.0 110.936 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 p -117.57 154.34 31.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.23 122.82 12.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.101 -3.296 . . . . 0.0 102.101 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.6 135.7 54.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.196 0.453 . . . . 0.0 111.549 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.34 95.8 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 100.849 -3.76 . . . . 0.0 100.849 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 m -105.25 124.54 49.72 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 109.238 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.249 1.03 0 C-N-CA 126.447 1.899 . . . . 0.0 110.687 -178.585 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.67 174.91 20.25 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 124.786 1.184 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.8 m -141.97 146.01 35.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.059 1.344 . . . . 0.0 108.827 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -123.32 125.61 45.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.725 1.21 . . . . 0.0 107.855 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -86.73 111.9 21.15 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 107.16 17.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.511 1.124 . . . . 0.0 109.348 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.33 123.85 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.61 119.49 39.58 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.15 106.37 9.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.656 1.182 . . . . 0.0 108.067 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.44 178.4 17.69 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.282 0.944 . . . . 0.0 113.54 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -6.67 56.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.011 0.924 . . . . 0.0 112.791 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -137.35 -27.16 0.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 170.42 17.17 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.552 1.141 . . . . 0.0 111.512 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -141.04 166.36 25.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.857 1.663 . . . . 0.0 109.765 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.39 161.05 31.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.42 118.85 8.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 p -138.07 175.21 9.78 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.307 1.043 . . . . 0.0 110.672 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.9 p -134.53 143.27 47.33 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.906 -1.121 . . . . 0.0 111.143 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -146.68 138.97 24.87 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -116.16 110.45 18.84 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.47 165.43 26.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.366 1.466 . . . . 0.0 109.856 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.83 -26.47 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.117 0.967 . . . . 0.0 112.306 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.03 157.76 44.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.912 0.778 . . . . 0.0 111.772 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.5 -37.8 82.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.529 1.532 . . . . 0.0 109.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.12 75.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.505 0.722 . . . . 0.0 110.84 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -65.37 -45.76 82.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.53 0.604 . . . . 0.0 109.468 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -49.76 72.24 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.91 -55.09 37.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.501 1.52 . . . . 0.0 111.903 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.92 -48.26 82.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.874 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.77 -52.26 41.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.187 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.464 ' CE2' ' HB ' ' A' ' 19' ' ' THR . 1.9 m-85 -65.46 -16.22 63.42 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-O 117.713 -1.137 . . . . 0.0 113.041 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.81 -33.43 61.56 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 120.411 1.46 . . . . 0.0 111.069 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.51 -58.63 7.47 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -44.27 96.89 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 125.591 1.557 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.91 -53.68 55.51 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.597 0.759 . . . . 0.0 110.674 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.06 -42.54 99.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.957 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.86 -32.71 74.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.468 1.507 . . . . 0.0 111.564 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -78.86 -19.34 52.22 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.436 1.095 . . . . 0.0 109.765 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.51 21.73 9.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.98 1.276 . . . . 0.0 115.278 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.08 131.59 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 119.632 1.716 . . . . 0.0 108.964 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -151.97 98.44 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.6 -156.96 7.45 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 123.641 0.639 . . . . 0.0 112.792 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -69.96 105.85 2.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.509 1.524 . . . . 0.0 112.459 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -84.62 104.37 14.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.709 1.603 . . . . 0.0 109.771 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -120.64 124.96 46.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.351 1.432 . . . . 0.0 110.787 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -91.39 148.76 22.09 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.492 1.117 . . . . 0.0 110.071 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -135.31 92.4 2.85 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.529 1.932 . . . . 0.0 106.583 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -21.25 65.64 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.619 -0.676 . . . . 0.0 112.111 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.39 -49.41 42.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 119.031 0.832 . . . . 0.0 109.411 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -89.4 -10.57 46.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.32 0.509 . . . . 0.0 110.872 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.36 54.36 3.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.15 2.18 . . . . 0.0 109.315 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 p -131.22 154.69 48.16 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 127.053 2.141 . . . . 0.0 107.727 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.44 102.79 4.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -105.16 136.37 44.79 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.91 96.66 4.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 101.692 -3.448 . . . . 0.0 101.692 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -97.04 88.49 4.52 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.252 1.231 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.218 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -95.34 128.3 42.07 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -92.02 114.88 27.54 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.387 1.875 . . . . 0.0 106.824 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.81 122.71 36.57 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.933 0.893 . . . . 0.0 109.658 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.67 112.64 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -82.37 113.62 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -117.99 79.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.18 171.23 25.46 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-O 122.799 1.222 . . . . 0.0 113.433 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 2.57 42.56 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.646 1.579 . . . . 0.0 112.419 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -141.3 -35.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.456 0.702 . . . . 0.0 112.426 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.8 166.96 25.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.516 1.126 . . . . 0.0 109.664 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -138.43 166.54 23.99 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.307 1.443 . . . . 0.0 110.71 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.04 158.52 28.92 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -143.41 118.92 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 p -139.94 170.14 16.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.885 1.274 . . . . 0.0 109.411 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -141.34 135.28 30.35 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.014 -1.054 . . . . 0.0 110.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 m -149.49 137.92 20.79 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.32 1.048 . . . . 0.0 108.721 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.27 146.66 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.097 0.862 . . . . 0.0 109.633 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.76 171.6 20.01 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.762 1.625 . . . . 0.0 109.333 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -70.11 -28.86 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.485 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.87 166.88 31.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.578 1.081 . . . . 0.0 113.604 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.73 -45.45 74.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.964 2.105 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.91 65.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.353 0.524 . . . . 0.0 112.31 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.2 m -75.78 -38.47 58.26 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.098 -1.001 . . . . 0.0 108.998 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.57 65.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.04 -54.08 50.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -54.09 -44.59 71.35 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.981 -0.449 . . . . 0.0 112.102 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.83 -56.24 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.388 0.275 . . . . 0.0 110.411 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.27 -22.65 65.04 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -57.0 -30.97 64.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.446 1.475 . . . . 0.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -56.6 -57.74 11.08 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -42.75 96.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 127.317 2.247 . . . . 0.0 112.031 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.66 -54.95 40.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.914 0.779 . . . . 0.0 111.236 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.99 -29.91 67.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.644 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.47 -36.08 80.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -77.99 -21.52 50.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.33 1.052 . . . . 0.0 112.396 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.83 27.52 5.39 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.955 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 t -125.55 126.34 70.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.745 1.273 . . . . 0.0 108.092 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.17 98.82 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.28 -157.0 7.02 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-O 121.586 0.548 . . . . 0.0 113.838 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.65 106.51 13.65 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.607 2.363 . . . . 0.0 112.198 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -75.22 110.29 9.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.765 2.026 . . . . 0.0 108.572 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -129.14 128.46 43.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.083 0.953 . . . . 0.0 109.525 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -111.07 150.47 29.31 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.398 1.479 . . . . 0.0 113.962 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -134.03 106.59 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.21 -25.72 62.63 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 120.85 -1.156 . . . . 0.0 112.661 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.53 97.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.178 0.899 . . . . 0.0 110.494 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -99.29 -8.8 24.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.458 1.503 . . . . 0.0 110.465 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 59.56 29.75 19.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.96 2.104 . . . . 0.0 111.178 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -96.88 153.69 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.487 1.115 . . . . 0.0 108.484 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.42 101.95 3.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.6 m -101.54 136.65 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.318 1.047 . . . . 0.0 112.063 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.9 t -108.09 100.33 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.6 m -97.18 121.85 39.54 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.373 0.669 . . . . 0.0 110.044 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.065 1.346 . . . . 0.0 108.904 179.728 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.5 113.42 25.26 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -74.35 126.61 31.06 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.97 119.88 38.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.74 115.71 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.48 116.97 29.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -127.76 117.02 21.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.39 1.076 . . . . 0.0 108.163 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.77 -172.26 18.39 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 119.225 0.92 . . . . 0.0 114.52 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -11.97 59.11 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 116.496 2.035 . . . . 0.0 116.496 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 m -126.18 -34.61 2.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.515 1.507 . . . . 0.0 113.067 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 170.26 17.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.114 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -131.87 164.98 24.89 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 125.938 1.695 . . . . 0.0 108.383 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.58 159.9 28.68 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -154.91 121.19 5.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -148.56 168.58 22.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.322 1.449 . . . . 0.0 109.262 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -138.39 135.31 35.17 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 120.755 -1.215 . . . . 0.0 110.22 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -149.68 138.96 21.35 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.529 1.132 . . . . 0.0 109.392 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.44 151.24 19.74 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.93 179.13 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.898 1.279 . . . . 0.0 108.123 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -97.78 -19.6 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.326 0.65 . . . . 0.0 110.043 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.68 150.36 31.0 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.27 87.81 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.113 0.565 . . . . 0.0 110.198 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.84 71.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.749 0.82 . . . . 0.0 111.401 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -70.84 -44.31 66.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.86 97.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.936 0.494 . . . . 0.0 110.711 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.75 -52.63 38.8 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.555 2.342 . . . . 0.0 110.284 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -71.01 -36.51 72.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.85 -56.34 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.323 0.965 . . . . 0.0 109.415 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.24 -13.09 57.5 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -57.08 -38.09 72.83 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.554 1.07 . . . . 0.0 109.55 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -53.53 -56.37 17.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.049 0.94 . . . . 0.0 108.983 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.45 -44.7 89.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.98 -54.31 48.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.965 0.802 . . . . 0.0 110.317 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.44 -50.53 73.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.46 0.704 . . . . 0.0 111.015 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -32.31 72.01 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.834 0.854 . . . . 0.0 113.164 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -83.28 -5.84 59.27 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.76 33.08 10.27 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-O 118.344 -1.254 . . . . 0.0 113.527 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.66 148.09 31.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 119.348 1.574 . . . . 0.0 110.332 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -157.86 102.66 1.84 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.13 -173.06 16.03 Favored Glycine 0 C--N 1.334 0.461 0 O-C-N 122.252 -0.28 . . . . 0.0 112.462 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.16 112.71 15.4 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 127.951 2.501 . . . . 0.0 110.644 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -84.3 113.7 21.32 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.508 1.523 . . . . 0.0 111.116 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -125.36 120.47 31.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 119.293 0.951 . . . . 0.0 108.751 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -89.21 148.69 23.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -141.34 81.73 1.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -23.58 67.15 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -50.47 46.11 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -78.38 -14.16 59.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.087 0.403 . . . . 0.0 110.049 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 68.13 42.29 1.8 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.159 2.584 . . . . 0.0 111.05 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.5 p -131.96 153.91 49.83 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.92 1.288 . . . . 0.0 111.468 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.82 101.64 4.0 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 m -103.71 137.24 42.02 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.533 1.133 . . . . 0.0 112.812 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.95 110.8 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 101.553 -3.499 . . . . 0.0 101.553 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.9 m -103.37 108.62 19.93 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.523 1.129 . . . . 0.0 109.913 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.251 1.178 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.66 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.08 136.42 35.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -94.99 106.66 18.67 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 122.57 33.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.892 0.877 . . . . 0.0 108.759 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.92 121.64 64.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' A' ' 35' ' ' ALA . 6.2 mp -102.08 113.56 26.92 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.82 79.25 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.46 -179.31 52.67 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 124.428 1.013 . . . . 0.0 113.043 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -8.2 56.23 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -140.95 -21.93 0.78 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.292 0.637 . . . . 0.0 112.373 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.74 169.96 17.97 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 111.23 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -134.65 165.61 24.85 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.681 1.193 . . . . 0.0 112.734 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.1 159.93 30.04 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.55 118.67 5.5 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 p -142.55 165.86 26.24 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.099 0.96 . . . . 0.0 110.782 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -133.96 136.68 44.33 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -146.34 138.08 24.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.928 1.291 . . . . 0.0 107.96 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.29 141.34 30.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.6 161.32 39.43 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.186 0.594 . . . . 0.0 110.285 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.66 -44.65 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.539 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -146.71 165.6 29.12 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.279 1.432 . . . . 0.0 107.824 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -32.93 68.79 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.468 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.19 82.78 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.953 1.251 . . . . 0.0 110.288 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 m -63.33 -36.33 83.33 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.17 5.13 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -51.85 -53.99 34.19 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.192 2.597 . . . . 0.0 112.998 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.03 -58.04 9.6 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.736 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.44 -43.39 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.526 0.731 . . . . 0.0 109.831 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -57.65 -30.92 65.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.09 0.859 . . . . 0.0 112.419 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -61.66 -31.03 71.12 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.508 1.049 . . . . 0.0 111.049 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.94 -53.24 60.24 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.06 -50.91 64.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.164 0.986 . . . . 0.0 111.345 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -54.94 -54.56 41.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.54 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -67.36 -29.45 68.99 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.112 0.415 . . . . 0.0 111.946 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.6 -22.35 62.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.106 0.866 . . . . 0.0 110.135 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -100.53 2.27 41.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.33 1.452 . . . . 0.0 111.728 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.99 26.79 52.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.06 -1.025 . . . . 0.0 114.685 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.1 t -120.84 120.97 63.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 118.695 1.247 . . . . 0.0 107.873 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -155.43 98.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.65 -156.08 8.29 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 125.43 1.49 . . . . 0.0 110.59 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.6 126.52 30.85 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -96.16 113.39 24.99 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.609 1.163 . . . . 0.0 110.852 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -132.97 141.46 48.32 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -122.24 150.45 42.28 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 126.614 1.966 . . . . 0.0 111.535 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -134.26 124.62 26.2 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -33.6 64.41 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.022 -1.049 . . . . 0.0 113.126 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.2 81.19 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.685 1.129 . . . . 0.0 111.158 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -94.99 -13.75 24.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.623 1.169 . . . . 0.0 111.615 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 60.15 26.98 16.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.108 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.4 p -91.25 154.84 18.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.257 1.423 . . . . 0.0 109.998 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.52 102.5 4.34 Favored 'General case' 0 N--CA 1.44 -0.953 1 N-CA-C 99.355 -4.313 . . . . 0.0 99.355 177.691 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -114.6 135.61 53.94 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.0 t -110.13 105.66 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 m -107.75 117.54 34.37 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 125.822 1.649 . . . . 0.0 108.426 -179.385 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -94.42 109.92 21.74 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -74.12 118.08 16.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.81 126.33 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 124.819 1.247 . . . . 0.0 110.624 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.74 128.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -106.34 119.69 39.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -127.54 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.07 -178.78 47.33 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.772 0.701 . . . . 0.0 114.016 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -12.99 56.41 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 118.663 -0.684 . . . . 0.0 112.382 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.41 -17.48 1.53 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.862 0.756 . . . . 0.0 112.865 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 167.84 23.51 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.182 0.993 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -134.81 165.89 24.25 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.142 1.377 . . . . 0.0 108.319 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.47 163.45 32.53 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -149.65 119.54 7.12 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -140.96 176.01 9.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.615 1.566 . . . . 0.0 108.538 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 t -158.92 136.46 10.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.636 -1.915 . . . . 0.0 110.035 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -149.38 140.66 23.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.413 2.285 . . . . 0.0 108.891 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.62 149.42 24.31 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 109.841 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.28 42.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.176 1.391 . . . . 0.0 111.467 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.05 -43.76 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 122.751 0.42 . . . . 0.0 109.911 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.52 165.17 27.55 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.227 1.411 . . . . 0.0 109.335 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.4 91.06 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.08 65.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.422 1.01 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -68.57 -48.88 63.08 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.92 94.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 112.502 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -53.74 -54.26 40.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 127.462 2.305 . . . . 0.0 110.346 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -57.22 -49.64 75.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.76 -56.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 124.3 1.04 . . . . 0.0 111.06 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.46 -12.08 61.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -56.05 -33.51 65.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.337 1.426 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.98 -58.08 9.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.198 1.399 . . . . 0.0 109.526 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -39.22 91.89 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.573 1.149 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -52.67 64.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.709 0.686 . . . . 0.0 110.018 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.2 -45.52 91.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -36.28 77.19 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.666 0.786 . . . . 0.0 112.468 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -81.95 -5.28 58.18 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.578 0.751 . . . . 0.0 111.639 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 32.69 10.88 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 117.667 -1.63 . . . . 0.0 116.262 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.7 t -125.48 146.31 31.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 120.736 2.268 . . . . 0.0 110.469 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.04 98.77 1.91 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.425 -1.695 . . . . 0.0 106.425 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.24 -176.29 17.14 Favored Glycine 0 C--N 1.331 0.258 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.82 105.55 2.82 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.962 0.505 . . . . 0.0 110.158 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -68.2 104.21 1.76 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.985 1.314 . . . . 0.0 108.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -120.16 119.72 34.09 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -94.56 150.51 20.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.215 1.406 . . . . 0.0 110.631 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -137.46 83.19 1.97 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -21.16 66.62 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.323 -0.861 . . . . 0.0 110.945 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -59.29 4.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.15 0.886 . . . . 0.0 109.486 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -83.0 2.69 33.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.86 0.864 . . . . 0.0 111.154 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 54.66 50.76 15.2 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.947 1.699 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -131.9 154.65 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.804 1.642 . . . . 0.0 109.045 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -148.01 102.43 3.39 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 m -106.57 136.36 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -106.65 102.8 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 m -105.48 109.55 21.56 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.396 1.079 . . . . 0.0 109.5 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.402 1.481 . . . . 0.0 112.042 -179.252 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -143.71 96.18 2.86 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -74.05 131.2 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.324 1.049 . . . . 0.0 108.439 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 134.64 33.63 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.499 0.719 . . . . 0.0 110.07 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.64 103.74 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 105.148 -2.168 . . . . 0.0 105.148 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -83.64 117.86 23.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.46 78.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.19 179.78 49.61 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 124.527 1.061 . . . . 0.0 112.887 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -2.27 58.31 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.898 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -139.13 -25.98 0.85 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.632 0.651 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.23 168.91 20.53 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.211 1.404 . . . . 0.0 111.291 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -137.28 166.31 24.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.306 1.442 . . . . 0.0 111.028 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.42 157.34 28.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -143.77 118.77 10.02 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.054 0.942 . . . . 0.0 109.138 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -138.71 172.38 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.762 1.625 . . . . 0.0 108.542 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -143.69 134.49 25.22 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.837 -1.164 . . . . 0.0 109.738 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m -150.44 138.42 20.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.273 1.829 . . . . 0.0 110.952 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.3 156.59 16.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.239 1.016 . . . . 0.0 109.554 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.4 166.34 31.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.503 1.521 . . . . 0.0 109.278 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -78.74 -27.61 13.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 121.213 -0.929 . . . . 0.0 111.29 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.32 154.77 42.05 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.212 1.005 . . . . 0.0 110.226 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.85 72.43 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.735 0.647 . . . . 0.0 109.654 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.8 75.49 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.223 -0.923 . . . . 0.0 111.647 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -69.89 -43.8 71.04 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.78 83.25 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.68 -46.15 84.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.665 1.186 . . . . 0.0 110.43 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.52 -45.94 92.1 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.232 -0.917 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.76 -56.72 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.621 0.768 . . . . 0.0 111.864 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -60.93 -30.32 70.14 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.02 -29.48 70.31 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.504 1.047 . . . . 0.0 112.216 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.15 -57.69 8.82 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.88 -48.08 73.45 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.229 1.811 . . . . 0.0 112.366 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.32 59.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.626 0.648 . . . . 0.0 109.923 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.62 -42.85 97.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.25 -17.53 64.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.118 0.567 . . . . 0.0 112.143 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.58 -4.66 30.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.836 1.654 . . . . 0.0 111.704 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.45 28.15 25.49 Favored Glycine 0 CA--C 1.526 0.755 0 O-C-N 120.754 -1.216 . . . . 0.0 113.757 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.76 145.08 34.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -167.61 99.07 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 -160.73 9.83 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-O 121.852 0.696 . . . . 0.0 112.258 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.18 105.53 9.47 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.24 1.016 . . . . 0.0 108.84 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -72.99 106.98 5.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 126.688 1.995 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -125.09 139.54 53.69 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -130.84 149.47 52.46 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.654 1.181 . . . . 0.0 111.201 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -141.66 110.08 5.99 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -20.12 63.43 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.75 -54.79 10.41 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.376 0.989 . . . . 0.0 108.859 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 m -78.6 -13.15 59.97 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.0 2.12 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mttp 59.61 53.63 4.92 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.069 1.748 . . . . 0.0 108.511 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 p -131.99 153.95 49.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.995 0.918 . . . . 0.0 110.887 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.72 102.71 4.09 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 178.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.4 m -107.2 136.48 46.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.991 0.916 . . . . 0.0 110.862 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 t -110.96 96.4 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 102.344 -3.206 . . . . 0.0 102.344 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -100.84 134.21 44.16 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.809 0.444 . . . . 0.0 111.383 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 C--O 1.246 0.879 0 C-N-CA 127.593 2.357 . . . . 0.0 107.229 179.028 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.92 100.39 5.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -74.55 135.26 42.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -110.28 126.29 54.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.682 0.674 . . . . 0.0 110.21 -178.662 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.61 107.26 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -85.99 113.57 22.19 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.38 79.9 1.79 Allowed 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.2 174.43 43.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 114.768 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -10.32 59.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.709 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -134.67 -24.65 1.51 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.967 0.803 . . . . 0.0 112.182 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.39 26.84 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.628 1.104 . . . . 0.0 110.921 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -134.81 166.61 22.59 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 125.363 1.465 . . . . 0.0 111.547 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.44 163.05 34.31 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -146.26 119.07 8.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -142.16 -179.55 6.31 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.908 1.683 . . . . 0.0 107.93 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -158.72 137.52 11.16 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.996 -1.69 . . . . 0.0 108.292 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -148.25 139.06 23.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.774 1.63 . . . . 0.0 107.454 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -91.53 145.89 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.09 149.52 24.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.296 1.039 . . . . 0.0 109.021 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.79 -24.72 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.501 1.12 . . . . 0.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -151.84 157.94 42.59 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 119.342 0.974 . . . . 0.0 111.095 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.95 81.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.832 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.49 88.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.073 0.851 . . . . 0.0 110.702 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.1 m -69.1 -46.87 66.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.47 73.09 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.12 -55.13 38.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.147 1.779 . . . . 0.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.28 -36.84 85.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.638 1.108 . . . . 0.0 112.39 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.4 -55.98 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' A' ' 6' ' ' LEU . 16.9 m-85 -61.48 -23.75 66.11 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -56.47 -29.62 61.94 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.438 0.563 . . . . 0.0 110.892 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.98 -58.61 6.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.962 0.505 . . . . 0.0 110.074 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.24 -32.95 70.44 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.042 0.537 . . . . 0.0 112.055 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.01 16.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 118.881 0.764 . . . . 0.0 110.08 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -67.37 -30.58 70.41 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.31 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.2 -25.92 64.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.689 0.795 . . . . 0.0 112.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -101.78 -14.79 17.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.818 0.847 . . . . 0.0 113.265 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.96 31.17 4.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.59 139.81 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 118.238 1.019 . . . . 0.0 110.085 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -167.87 98.41 0.46 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.126 2.171 . . . . 0.0 105.896 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.46 -165.68 10.62 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 126.33 1.919 . . . . 0.0 109.219 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.33 125.74 27.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' HG22 ' A' ' 55' ' ' VAL . 75.5 m95 -98.57 123.13 42.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.089 1.356 . . . . 0.0 110.866 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -138.45 147.2 43.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.373 0.988 . . . . 0.0 108.958 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -120.79 150.46 40.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.743 1.217 . . . . 0.0 111.209 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.94 94.56 3.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.605 2.362 . . . . 0.0 106.766 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -21.85 66.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.888 -0.508 . . . . 0.0 111.232 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.03 6.04 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.478 -0.764 . . . . 0.0 109.539 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -85.23 -4.63 59.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.977 1.311 . . . . 0.0 109.839 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 61.15 43.13 11.41 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.605 1.962 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -117.34 154.03 31.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 110.78 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.15 127.86 29.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -127.0 137.41 53.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.256 0.622 . . . . 0.0 111.816 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' CE3' ' A' ' 44' ' ' TRP . 3.9 t -112.59 112.05 38.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 102.149 -3.278 . . . . 0.0 102.149 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.8 m -114.22 107.79 16.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.811 0.695 . . . . 0.0 111.42 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.253 1.285 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.304 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.57 165.59 12.45 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.678 0.752 . . . . 0.0 112.18 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -123.06 107.84 12.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.371 2.268 . . . . 0.0 106.424 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.72 117.5 23.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -109.91 98.23 6.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.9 112.99 18.79 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -120.21 80.53 1.62 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.92 1.288 . . . . 0.0 109.298 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.32 177.44 52.87 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-O 121.855 0.697 . . . . 0.0 112.977 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -86.2 -9.97 55.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.811 1.245 . . . . 0.0 112.806 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.97 -22.72 1.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.402 0.681 . . . . 0.0 112.656 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.61 169.9 18.65 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.372 1.469 . . . . 0.0 110.126 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -140.66 166.5 24.59 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.23 1.412 . . . . 0.0 109.834 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.33 162.35 33.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.76 119.7 7.65 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 121.643 -0.916 . . . . 0.0 108.704 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -138.96 163.62 31.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.759 1.224 . . . . 0.0 109.518 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -130.67 135.25 47.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.924 -1.11 . . . . 0.0 109.858 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -150.08 138.68 20.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.602 1.561 . . . . 0.0 108.143 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -97.69 156.17 16.67 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.464 1.029 . . . . 0.0 110.564 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.13 166.15 30.33 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.983 0.913 . . . . 0.0 110.9 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.36 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.53 166.12 32.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.852 0.861 . . . . 0.0 111.178 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.58 64.17 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.671 1.988 . . . . 0.0 112.058 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 -40.34 67.92 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.518 0.599 . . . . 0.0 112.015 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -70.68 -42.54 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.86 76.13 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.106 0.866 . . . . 0.0 109.635 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.61 -45.52 66.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.116 2.167 . . . . 0.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -69.65 -47.91 61.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.645 1.578 . . . . 0.0 112.403 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.02 -52.98 53.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.74 -18.12 63.71 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -58.14 -31.71 67.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 120.115 1.325 . . . . 0.0 109.853 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -63.68 -38.13 89.96 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.623 1.569 . . . . 0.0 112.536 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.96 38.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.068 0.849 . . . . 0.0 111.374 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.21 -35.26 76.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.581 0.628 . . . . 0.0 110.909 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.77 -9.53 44.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.617 1.167 . . . . 0.0 111.686 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -115.1 -1.56 12.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.525 1.53 . . . . 0.0 111.162 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.07 31.55 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.44 142.14 43.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 119.711 1.756 . . . . 0.0 110.635 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -156.04 98.42 1.88 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.65 -170.94 12.02 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -74.92 111.48 10.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.398 0.679 . . . . 0.0 110.497 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.81 100.37 7.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.302 1.841 . . . . 0.0 109.646 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.3 m -125.31 136.3 53.35 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.352 1.061 . . . . 0.0 109.449 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -119.29 150.48 40.05 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -122.22 102.85 8.38 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.999 2.12 . . . . 0.0 105.432 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.23 -27.58 68.08 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.85 -1.156 . . . . 0.0 112.871 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.93 77.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.544 0.611 . . . . 0.0 111.316 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -108.08 -3.9 18.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.469 1.908 . . . . 0.0 111.086 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm 53.64 29.57 9.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.85 1.66 . . . . 0.0 111.966 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 p -97.6 153.18 18.36 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.633 1.173 . . . . 0.0 107.899 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.59 102.18 4.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 m -96.91 137.15 36.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 111.513 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.85 98.02 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 N-CA-C 103.203 -2.888 . . . . 0.0 103.203 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.3 m -102.29 109.59 21.31 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.157 0.983 . . . . 0.0 110.304 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 . . . . . 0 C--O 1.248 0.996 0 C-N-CA 124.464 1.106 . . . . 0.0 110.139 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -94.38 149.81 20.88 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -126.32 105.29 8.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -97.22 111.8 23.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.675 0.79 . . . . 0.0 108.882 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.57 141.35 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.33 123.85 47.57 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -123.74 88.88 2.99 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.51 153.12 17.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 123.351 0.5 . . . . 0.0 112.616 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.37 5.28 0.07 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.791 2.436 . . . . 0.0 115.659 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.4 m -140.83 -35.66 0.48 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.341 1.056 . . . . 0.0 111.472 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 164.91 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.022 0.929 . . . . 0.0 111.71 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -134.49 166.03 23.82 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.947 1.299 . . . . 0.0 108.652 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.8 164.4 34.67 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.29 119.45 5.89 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -133.58 160.42 37.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.335 1.054 . . . . 0.0 109.872 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.0 p -133.21 136.27 45.53 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.082 0.856 . . . . 0.0 110.444 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -148.5 138.66 22.46 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.752 -1.218 . . . . 0.0 109.052 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.48 140.39 37.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.893 0.77 . . . . 0.0 109.836 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 164.52 38.33 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.665 0.786 . . . . 0.0 111.247 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.85 -21.42 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.183 1.393 . . . . 0.0 111.135 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.38 142.0 27.76 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.81 69.88 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.819 1.247 . . . . 0.0 111.728 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.8 86.93 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.332 0.653 . . . . 0.0 110.161 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -31.84 72.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.16 0.984 . . . . 0.0 110.091 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.75 21.56 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.11 -50.43 69.25 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.377 1.871 . . . . 0.0 112.311 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -53.63 -39.25 64.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.409 0.549 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.83 -53.8 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.092 0.86 . . . . 0.0 109.176 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -58.75 -23.93 60.77 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -52.65 -43.6 65.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.129 0.877 . . . . 0.0 112.658 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.14 -57.71 11.86 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.415 1.086 . . . . 0.0 108.901 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -52.27 -52.85 50.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 111.312 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.23 -54.04 51.29 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.685 0.675 . . . . 0.0 111.508 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -59.31 -50.21 74.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.901 0.88 . . . . 0.0 112.16 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.41 -38.65 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.981 1.312 . . . . 0.0 112.257 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -78.39 0.19 26.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.132 0.973 . . . . 0.0 112.862 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.38 22.88 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.426 -0.652 . . . . 0.0 114.487 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.23 153.36 24.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 118.858 1.329 . . . . 0.0 109.454 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.31 168.01 22.93 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.142 2.177 . . . . 0.0 107.143 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.42 -166.05 31.57 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -84.81 139.29 32.03 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -103.42 99.55 9.38 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.03 0.919 . . . . 0.0 109.504 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m -118.09 128.97 55.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 127.247 2.219 . . . . 0.0 107.071 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -116.49 149.1 40.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.199 1.4 . . . . 0.0 110.083 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.98 95.95 3.54 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.14 59.38 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.704 -0.623 . . . . 0.0 111.073 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 -58.51 3.84 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.501 1.121 . . . . 0.0 108.605 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -77.3 -13.13 59.99 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm 61.57 51.55 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.876 2.071 . . . . 0.0 111.666 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -132.47 152.14 51.63 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.091 1.756 . . . . 0.0 109.765 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.62 107.6 3.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -128.47 125.69 38.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.591 1.087 . . . . 0.0 110.79 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -83.59 110.88 18.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -123.5 127.91 49.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.429 1.092 . . . . 0.0 109.17 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.287 1.435 . . . . 0.0 107.879 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 C--O 1.233 0.192 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -94.09 120.3 34.14 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -74.37 124.81 27.19 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.04 119.04 34.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.34 108.51 24.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 102.65 -3.093 . . . . 0.0 102.65 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 tp -94.95 113.58 25.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.284 1.433 . . . . 0.0 107.725 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.01 86.13 2.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.466 1.507 . . . . 0.0 108.914 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.64 -169.61 46.07 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.94 0.781 . . . . 0.0 112.579 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -6.8 32.51 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.7 m -141.64 -17.4 0.78 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.938 -1.102 . . . . 0.0 112.325 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 166.08 27.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.756 1.623 . . . . 0.0 109.434 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -136.59 166.06 24.42 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.059 1.344 . . . . 0.0 108.972 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.84 156.96 27.26 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.769 -1.333 . . . . 0.0 109.769 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -147.42 118.26 7.61 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -140.95 175.69 9.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 110.226 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 p -145.24 135.32 23.83 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.267 -0.896 . . . . 0.0 109.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -149.76 138.98 21.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.418 1.487 . . . . 0.0 107.791 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.39 147.72 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.77 179.04 9.46 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 126.051 1.74 . . . . 0.0 109.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.0 -44.31 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.453 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -151.57 176.5 11.28 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.529 1.059 . . . . 0.0 110.098 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.47 62.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.751 1.62 . . . . 0.0 113.253 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.7 73.92 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 119.618 1.099 . . . . 0.0 111.865 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.8 m -65.48 -35.81 81.99 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.564 -0.71 . . . . 0.0 110.316 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.78 63.03 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.856 0.753 . . . . 0.0 109.284 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.41 -54.09 41.88 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 128.126 2.57 . . . . 0.0 111.085 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -65.07 -53.46 45.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.718 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.78 -53.65 39.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.711 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.08 -13.42 61.91 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 117.186 -1.388 . . . . 0.0 113.381 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -58.1 -32.82 68.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.041 1.746 . . . . 0.0 109.384 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.81 -58.21 9.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -59.92 -46.88 87.96 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.579 1.152 . . . . 0.0 110.951 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -54.92 39.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.955 0.502 . . . . 0.0 111.171 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.06 -29.51 67.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 -21.43 61.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.969 0.907 . . . . 0.0 109.925 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -95.15 -1.64 51.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.334 1.854 . . . . 0.0 109.422 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.55 28.79 42.03 Favored Glycine 0 C--N 1.34 0.795 0 O-C-N 120.753 -1.217 . . . . 0.0 114.699 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 t -126.36 127.02 70.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 118.617 1.208 . . . . 0.0 110.28 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -150.9 97.53 2.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.44 -156.95 8.4 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 124.347 0.975 . . . . 0.0 111.321 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.42 113.01 19.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.977 1.311 . . . . 0.0 110.243 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -88.52 104.89 17.24 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.15 1.78 . . . . 0.0 109.76 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 120.48 32.19 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.16 0.981 . . . . 0.0 110.213 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -93.26 150.55 20.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.109 1.764 . . . . 0.0 111.408 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -136.33 94.41 3.02 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -34.79 78.74 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.649 -0.657 . . . . 0.0 111.793 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -51.73 66.25 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.303 1.041 . . . . 0.0 109.865 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -80.84 -13.95 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.052 0.941 . . . . 0.0 110.656 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.256 9.4 ttmt 57.61 51.95 8.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.835 2.854 . . . . 0.0 110.76 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -132.48 154.38 49.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 109.221 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.9 101.67 3.45 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m -101.62 137.31 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.955 0.902 . . . . 0.0 112.801 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.4 t -109.78 103.52 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 103.906 -2.627 . . . . 0.0 103.906 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -112.62 109.18 18.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.724 0.693 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 126.239 1.815 . . . . 0.0 107.536 178.713 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -94.64 97.21 9.94 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.9 0.857 . . . . 0.0 109.741 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.43 110.16 14.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.62 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.516 1.127 . . . . 0.0 110.927 -179.189 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.29 123.97 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 126.374 1.869 . . . . 0.0 106.764 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.67 113.89 25.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.02 80.0 1.48 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.28 -175.66 48.84 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 124.221 0.915 . . . . 0.0 114.125 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.85 -3.25 49.21 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 112.809 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -141.33 -25.78 0.71 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 120.799 -1.188 . . . . 0.0 112.361 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 169.42 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.287 1.435 . . . . 0.0 110.002 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -139.51 165.67 26.61 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.723 1.609 . . . . 0.0 108.464 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.75 161.75 33.49 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.08 119.04 8.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.817 0.809 . . . . 0.0 109.161 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 p -133.88 171.13 14.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.159 1.783 . . . . 0.0 109.127 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -157.17 137.42 12.79 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 120.386 -1.446 . . . . 0.0 111.192 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 m -148.52 138.25 22.17 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.445 1.898 . . . . 0.0 107.795 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.41 138.58 31.32 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.132 0.878 . . . . 0.0 108.811 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.98 172.45 12.67 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 111.359 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.09 -43.5 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.113 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.61 161.7 36.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.664 0.785 . . . . 0.0 109.912 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.26 81.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.041 0.937 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.26 -27.66 66.01 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -71.13 -49.44 44.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.05 82.41 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.696 0.798 . . . . 0.0 111.122 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -55.13 -54.77 39.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.772 2.029 . . . . 0.0 110.541 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -71.19 -35.65 71.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -70.51 -56.27 11.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 119.097 0.862 . . . . 0.0 109.997 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -68.59 -10.23 54.63 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.93 -37.66 61.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.959 1.254 . . . . 0.0 109.544 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -51.08 -56.91 10.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 109.27 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -32.08 73.59 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.411 1.484 . . . . 0.0 113.771 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.6 34.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.063 0.847 . . . . 0.0 109.545 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.25 -35.53 80.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.77 -13.21 58.96 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.725 -0.61 . . . . 0.0 112.318 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -111.12 1.91 17.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.517 1.127 . . . . 0.0 111.834 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.72 43.57 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.901 0.773 . . . . 0.0 113.995 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 t -119.75 139.76 46.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 118.703 1.252 . . . . 0.0 110.975 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -157.06 98.28 1.73 Allowed 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.54 -168.63 11.34 Favored Glycine 0 C--N 1.331 0.259 0 O-C-N 121.903 -0.498 . . . . 0.0 112.912 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -77.0 104.78 7.68 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.41 0.684 . . . . 0.0 110.308 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -72.59 116.93 13.65 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.473 1.509 . . . . 0.0 107.869 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -134.56 138.76 44.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.356 1.062 . . . . 0.0 108.276 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -107.54 150.3 27.0 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.719 1.608 . . . . 0.0 113.12 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -131.27 102.28 5.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.858 2.463 . . . . 0.0 105.755 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -25.21 60.18 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.5 -56.2 5.1 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.302 0.641 . . . . 0.0 109.757 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -78.67 -11.96 60.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.786 0.834 . . . . 0.0 110.387 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 58.91 57.48 3.58 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.656 1.982 . . . . 0.0 109.729 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.68 154.74 49.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.563 1.545 . . . . 0.0 110.022 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.558 ' HB3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -135.61 118.07 15.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 102.099 -3.297 . . . . 0.0 102.099 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.9 m -120.38 136.23 54.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.776 0.716 . . . . 0.0 111.102 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.5 t -110.22 101.45 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.0 m -100.18 110.04 22.3 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.947 1.299 . . . . 0.0 110.626 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.562 1.545 . . . . 0.0 112.379 -179.153 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -94.2 115.68 27.98 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -74.42 127.12 32.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.13 128.59 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.19 124.54 68.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.02 113.17 25.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -118.33 79.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.77 173.3 47.14 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -3.09 58.85 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -136.92 -25.19 1.1 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.999 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 170.13 18.22 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.425 1.49 . . . . 0.0 110.332 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -137.53 166.27 24.28 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.823 1.249 . . . . 0.0 110.925 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.78 162.18 31.48 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -151.56 119.06 6.03 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.001 0.901 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.8 p -141.55 -179.51 6.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.628 1.571 . . . . 0.0 109.056 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -158.84 136.14 9.95 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 119.899 -1.75 . . . . 0.0 108.205 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -149.01 139.0 22.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.366 1.466 . . . . 0.0 109.793 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.55 142.05 27.89 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.17 167.58 23.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 122.783 0.433 . . . . 0.0 110.647 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.86 -38.38 81.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.488 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -152.17 166.43 31.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.086 0.857 . . . . 0.0 109.661 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.51 75.06 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 125.133 1.373 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.95 80.24 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.497 0.719 . . . . 0.0 110.817 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -65.52 -48.96 70.72 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.09 77.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.242 0.617 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.45 -54.55 38.42 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.973 1.709 . . . . 0.0 110.249 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.19 -41.67 89.05 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.742 -0.598 . . . . 0.0 112.258 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.09 -56.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.51 -14.52 51.88 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -62.99 -22.28 66.73 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.362 1.437 . . . . 0.0 109.301 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.91 -58.06 9.37 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -55.94 -45.23 78.87 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.773 2.029 . . . . 0.0 111.662 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -54.37 47.64 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.117 0.871 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.43 -40.45 94.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.385 0.674 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.78 -9.82 59.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.058 2.543 . . . . 0.0 113.523 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -111.65 -4.34 14.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.743 0.817 . . . . 0.0 112.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.18 30.33 17.24 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 118.52 -1.156 . . . . 0.0 114.705 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -126.9 147.62 31.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.174 1.487 . . . . 0.0 108.801 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -158.19 98.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.44 -179.12 17.25 Favored Glycine 0 C--O 1.227 -0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 112.787 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.71 105.18 2.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 110.87 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -67.37 107.64 2.49 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.39 1.476 . . . . 0.0 107.825 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -125.42 154.03 42.57 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.52 150.1 51.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.494 1.118 . . . . 0.0 111.687 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -131.94 105.43 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.257 1.823 . . . . 0.0 106.251 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.0 -19.52 62.51 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.24 -52.36 7.82 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 m -78.78 -14.29 59.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.269 0.628 . . . . 0.0 109.992 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 60.15 54.59 4.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.934 2.094 . . . . 0.0 109.615 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.8 p -132.65 154.17 50.37 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.176 1.39 . . . . 0.0 112.096 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.65 109.55 9.8 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 102.818 -3.03 . . . . 0.0 102.818 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 m -113.55 136.18 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -99.71 98.97 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 101.3 -3.593 . . . . 0.0 101.3 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -101.35 99.94 10.36 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.688 1.195 . . . . 0.0 110.566 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -94.59 128.94 41.56 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -86.57 103.32 14.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.163 1.785 . . . . 0.0 106.993 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.03 116.54 26.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.36 116.59 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 35' ' ' ALA . 2.6 mp -84.35 113.67 21.32 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 104.702 -2.333 . . . . 0.0 104.702 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.89 80.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.5 159.71 29.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -5.15 39.18 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.064 0.932 . . . . 0.0 113.29 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 m -127.55 -33.44 2.32 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.407 0.683 . . . . 0.0 112.563 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.64 165.3 29.98 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.78 1.232 . . . . 0.0 109.784 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -139.36 165.57 26.86 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.175 0.99 . . . . 0.0 112.425 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.71 164.89 32.85 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.21 119.58 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -136.12 171.83 13.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.966 0.906 . . . . 0.0 109.838 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 p -139.68 136.59 34.4 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.066 0.946 . . . . 0.0 108.622 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -149.32 138.32 21.28 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.27 142.23 27.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.476 0.71 . . . . 0.0 109.111 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.38 168.41 25.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.712 1.205 . . . . 0.0 111.22 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.02 -20.09 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.816 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 152.9 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.872 1.215 . . . . 0.0 112.16 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.54 98.98 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.009 0.924 . . . . 0.0 109.077 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.67 93.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.217 1.007 . . . . 0.0 110.043 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 m -59.17 -48.9 79.92 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.351 -0.843 . . . . 0.0 108.893 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.87 78.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.598 0.359 . . . . 0.0 110.652 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.89 -54.17 50.08 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.663 1.585 . . . . 0.0 111.617 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.14 -48.44 76.26 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.524 0.73 . . . . 0.0 110.803 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.63 -55.18 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 122.758 0.423 . . . . 0.0 109.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.2 -13.75 30.88 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 117.445 -1.264 . . . . 0.0 114.393 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -59.42 -28.57 67.05 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.993 1.724 . . . . 0.0 109.735 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.91 -58.56 8.01 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -42.63 84.38 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.787 1.635 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -58.78 -55.02 40.53 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.93 0.332 . . . . 0.0 110.723 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.99 -29.89 63.38 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.74 -28.44 69.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.761 1.224 . . . . 0.0 109.481 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.69 -2.82 47.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.16 1.384 . . . . 0.0 112.036 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 31.15 25.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.17 -0.956 . . . . 0.0 114.266 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.56 119.08 57.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 119.244 1.522 . . . . 0.0 109.614 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.72 97.06 2.85 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.02 -163.88 11.56 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.74 117.38 20.58 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -84.9 133.13 34.3 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.87 1.268 . . . . 0.0 111.081 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -144.4 142.8 30.58 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -118.02 149.22 41.32 Favored 'General case' 0 C--O 1.228 -0.041 0 C-N-CA 126.636 1.974 . . . . 0.0 111.424 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.54 93.54 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -24.16 67.37 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.513 -0.742 . . . . 0.0 111.92 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.56 70.64 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.585 1.154 . . . . 0.0 112.683 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -119.91 2.63 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.915 2.086 . . . . 0.0 110.243 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mttt 55.89 23.32 6.44 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.088 2.155 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 p -80.89 149.3 29.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.02 107.64 3.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.1 m -118.69 136.19 54.07 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.032 -0.417 . . . . 0.0 110.053 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.77 96.53 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 100.387 -3.931 . . . . 0.0 100.387 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 m -93.29 108.77 20.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.84 0.829 . . . . 0.0 111.362 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.145 0 N-CA-C 104.041 -2.578 . . . . 0.0 104.041 178.414 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -94.81 121.54 36.51 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -76.31 106.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.39 115.62 21.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.98 123.28 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.42 113.36 25.66 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -121.06 79.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.32 176.9 40.64 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-O 122.792 1.218 . . . . 0.0 114.863 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -15.64 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.191 -1.504 . . . . 0.0 112.911 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -134.81 -25.77 1.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 169.79 18.57 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.641 1.176 . . . . 0.0 110.446 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -135.26 166.84 22.19 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.19 1.396 . . . . 0.0 110.784 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.29 160.03 29.86 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -152.3 118.52 5.55 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -141.33 170.44 15.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.431 1.092 . . . . 0.0 109.9 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -142.83 135.63 27.94 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.71 -1.244 . . . . 0.0 109.138 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -150.26 138.42 20.3 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.647 1.179 . . . . 0.0 109.869 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.08 144.72 25.24 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.9 168.3 23.39 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.5 -41.08 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.486 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.56 170.44 21.97 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.196 0.907 . . . . 0.0 109.848 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.14 -39.07 63.24 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.259 1.423 . . . . 0.0 112.437 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.93 66.32 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.773 1.229 . . . . 0.0 111.518 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 m -76.04 -49.21 18.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.51 64.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.578 0.751 . . . . 0.0 111.425 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -55.09 -54.85 37.92 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.491 1.917 . . . . 0.0 111.415 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.68 -29.57 61.27 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.14 -56.32 13.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 120.045 1.293 . . . . 0.0 108.194 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -69.08 -12.08 61.37 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.01 -0.995 . . . . 0.0 113.495 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -51.11 -41.32 59.95 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.726 1.148 . . . . 0.0 109.696 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.73 -58.11 8.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.889 1.276 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -39.91 89.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.674 1.59 . . . . 0.0 112.514 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -55.71 31.42 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.709 0.686 . . . . 0.0 111.423 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.66 -31.71 69.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.998 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.9 -37.95 89.27 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 117.817 0.28 . . . . 0.0 110.605 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -75.68 -13.59 60.33 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.024 0.53 . . . . 0.0 111.32 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.52 23.23 9.01 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.04 1.305 . . . . 0.0 113.936 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 t -126.71 116.97 46.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 CA-C-N 118.826 1.313 . . . . 0.0 111.007 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -146.87 97.53 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.36 -156.51 7.86 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 125.141 1.353 . . . . 0.0 110.215 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.75 111.67 17.41 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -78.19 135.97 37.73 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -146.09 123.88 11.93 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -102.83 149.05 24.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.947 0.899 . . . . 0.0 110.748 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.66 92.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.88 59.15 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.46 -56.15 6.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.272 0.942 . . . . 0.0 108.833 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 p -78.92 -10.58 59.85 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.775 -0.578 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 63.87 42.02 6.31 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 126.585 1.954 . . . . 0.0 108.944 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.7 p -113.9 154.21 27.91 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.822 0.849 . . . . 0.0 110.097 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.75 101.35 4.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 102.174 -3.269 . . . . 0.0 102.174 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -94.22 137.23 33.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 126.841 2.056 . . . . 0.0 111.701 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 t -114.71 101.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.9 m -103.81 113.1 26.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.026 0.931 . . . . 0.0 109.95 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 124.63 1.172 . . . . 0.0 110.304 -179.414 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 C--O 1.234 0.252 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -93.16 129.55 39.13 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.492 1.139 . . . . 0.0 108.634 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -91.1 111.68 23.25 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.178 -1.828 . . . . 0.0 106.599 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 134.73 34.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.963 0.905 . . . . 0.0 109.381 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.7 122.6 47.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -97.45 119.09 35.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.144 2.177 . . . . 0.0 105.728 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.34 80.1 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -168.06 44.36 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.463 1.03 . . . . 0.0 112.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -18.29 17.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.617 1.167 . . . . 0.0 112.725 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 m -115.41 -33.57 5.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.642 0.777 . . . . 0.0 111.743 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.46 168.62 21.44 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.864 1.666 . . . . 0.0 110.556 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -132.36 163.03 29.6 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.12 1.768 . . . . 0.0 107.432 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.79 170.31 34.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.35 119.53 4.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -138.59 178.54 7.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.951 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -139.48 137.1 35.25 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.567 -1.333 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 m -148.39 137.5 21.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.35 141.56 29.52 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.562 -0.711 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.54 161.23 40.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.722 1.609 . . . . 0.0 111.19 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.28 -39.12 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.36 161.78 37.16 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.418 1.087 . . . . 0.0 109.53 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.84 66.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.991 0.916 . . . . 0.0 111.869 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.79 92.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.404 1.002 . . . . 0.0 111.413 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -70.01 -39.17 76.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.56 -52.91 63.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.73 0.812 . . . . 0.0 109.283 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.93 -53.85 29.26 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 126.786 2.034 . . . . 0.0 110.355 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.8 -52.41 64.09 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.921 1.288 . . . . 0.0 111.703 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.41 -54.0 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 123.044 0.538 . . . . 0.0 110.09 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -54.11 -30.6 49.36 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.633 1.173 . . . . 0.0 112.548 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -52.95 -34.41 55.45 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 111.858 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -69.4 -54.68 13.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.895 0.878 . . . . 0.0 109.661 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.98 -47.81 83.82 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.36 31.35 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.41 -38.41 90.94 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.09 -17.64 64.43 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.927 0.491 . . . . 0.0 111.858 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -100.29 0.16 39.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.871 1.269 . . . . 0.0 110.454 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 23.32 44.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.097 -1.002 . . . . 0.0 113.791 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.95 127.73 75.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 CA-C-N 118.783 1.291 . . . . 0.0 108.152 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -157.17 106.99 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.7 -164.48 10.82 Favored Glycine 0 C--O 1.226 -0.369 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.04 118.06 11.47 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.168 0.587 . . . . 0.0 110.226 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -83.88 99.77 10.56 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 127.042 2.137 . . . . 0.0 111.18 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.94 134.08 54.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.471 0.708 . . . . 0.0 109.199 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -113.17 149.54 33.49 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.486 2.314 . . . . 0.0 111.416 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.32 113.4 8.34 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 126.03 1.732 . . . . 0.0 107.274 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -25.8 60.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.381 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.27 87.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.413 1.006 . . . . 0.0 111.388 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -1.75 25.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.953 0.901 . . . . 0.0 109.593 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 58.8 18.79 6.34 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.357 1.863 . . . . 0.0 110.946 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 p -83.81 136.83 33.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.917 0.887 . . . . 0.0 109.671 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.23 102.12 6.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 101.894 -3.372 . . . . 0.0 101.894 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -104.75 136.49 44.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.421 0.689 . . . . 0.0 112.367 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.24 106.01 19.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 101.558 -3.497 . . . . 0.0 101.558 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.08 108.77 14.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.989 0.813 . . . . 0.0 111.88 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.247 0.951 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 178.124 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.234 0.273 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -94.27 113.51 25.43 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.01 117.49 19.39 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -88.55 123.56 33.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.4 108.88 22.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.31 112.91 19.72 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 102.421 -3.178 . . . . 0.0 102.421 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -119.51 78.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.05 179.66 48.53 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 114.949 -1.023 . . . . 0.0 113.136 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.06 -8.48 45.75 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.588 1.555 . . . . 0.0 112.419 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -133.58 -31.93 1.17 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.034 0.833 . . . . 0.0 111.628 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 169.38 19.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.14 1.376 . . . . 0.0 109.083 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -140.4 167.81 21.28 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.873 1.269 . . . . 0.0 112.898 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.56 163.1 29.86 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -151.93 117.96 5.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 106.16 -1.792 . . . . 0.0 106.16 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 p -145.31 171.28 14.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.681 1.192 . . . . 0.0 110.971 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -139.53 134.39 32.14 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.294 -0.879 . . . . 0.0 110.907 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 m -149.88 137.52 20.03 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.51 147.69 23.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.919 1.236 . . . . 0.0 108.281 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.64 172.88 12.36 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.689 1.595 . . . . 0.0 108.955 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.2 p -78.64 -25.32 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 118.407 0.548 . . . . 0.0 110.978 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -158.81 168.42 26.86 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.697 0.681 . . . . 0.0 110.298 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.16 95.09 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.184 0.994 . . . . 0.0 110.588 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -44.81 74.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.252 0.621 . . . . 0.0 110.676 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -66.69 -48.94 67.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.79 60.65 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.963 0.505 . . . . 0.0 110.511 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -53.63 -54.09 42.56 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.596 1.558 . . . . 0.0 111.311 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -64.42 -45.42 87.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.37 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.95 -53.08 48.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 110.05 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.498 ' CD2' HD23 ' A' ' 6' ' ' LEU . 14.4 m-85 -60.92 -14.49 22.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.48 -30.03 66.67 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 119.5 1.045 . . . . 0.0 110.388 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -56.6 -58.01 9.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.73 -42.32 92.86 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.813 2.045 . . . . 0.0 111.937 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.27 43.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.876 0.762 . . . . 0.0 109.813 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -45.64 84.08 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.661 0.784 . . . . 0.0 109.38 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.77 -35.3 77.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.681 1.193 . . . . 0.0 112.755 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.43 -5.94 58.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.183 0.593 . . . . 0.0 111.574 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 29.77 36.65 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-O 118.829 -0.984 . . . . 0.0 115.34 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.32 157.51 38.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 118.546 1.173 . . . . 0.0 109.097 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.49 168.71 21.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 129.114 2.966 . . . . 0.0 105.679 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.05 -155.75 27.1 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 107.648 -2.181 . . . . 0.0 107.648 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -98.62 106.95 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -78.57 102.1 7.76 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.666 1.986 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.3 m -125.2 139.31 53.85 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -107.89 150.1 27.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.901 1.281 . . . . 0.0 111.756 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -127.01 101.04 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 127.498 2.319 . . . . 0.0 104.809 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -37.21 86.89 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 118.79 -0.624 . . . . 0.0 111.876 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.52 20.97 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.518 1.054 . . . . 0.0 109.458 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -78.71 -13.96 59.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 60.45 46.2 10.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.272 2.229 . . . . 0.0 109.676 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -120.66 154.01 36.11 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.516 1.526 . . . . 0.0 108.635 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.62 101.77 4.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.769 -3.049 . . . . 0.0 102.769 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.2 m -104.93 136.69 43.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.257 0.623 . . . . 0.0 112.139 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -108.08 98.17 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 104.014 -2.587 . . . . 0.0 104.014 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 m -115.14 145.25 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.222 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.236 0.36 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 24' ' ' ALA . 42.9 m-85 -95.53 139.97 31.04 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -81.08 108.97 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.037 0.535 . . . . 0.0 110.314 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.01 100.07 10.23 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.429 2.292 . . . . 0.0 110.139 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.54 128.66 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.207 1.403 . . . . 0.0 108.105 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -98.68 116.03 30.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 127.409 2.283 . . . . 0.0 106.336 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -119.87 82.14 1.84 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.7 159.97 14.58 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.232 0.92 . . . . 0.0 112.329 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.88 -0.31 2.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -179.279 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -141.23 -29.78 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.011 1.278 . . . . 0.0 113.42 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 163.59 35.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 108.243 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -141.0 166.13 25.63 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 125.078 1.351 . . . . 0.0 108.935 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.13 161.79 33.2 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.35 119.14 3.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.9 p -143.1 169.5 17.47 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.758 1.223 . . . . 0.0 109.065 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 p -136.08 134.08 38.02 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.322 1.419 . . . . 0.0 110.986 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -148.75 139.19 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.682 1.993 . . . . 0.0 108.298 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.54 156.19 16.91 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.36 0.982 . . . . 0.0 110.36 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.13 175.63 13.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.678 2.391 . . . . 0.0 108.479 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.19 -27.06 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 120.158 1.345 . . . . 0.0 111.784 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.16 163.51 35.99 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.097 0.559 . . . . 0.0 110.601 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . . . -56.74 -36.82 70.18 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.025 1.33 . . . . 0.0 110.836 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.65 93.69 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.019 0.927 . . . . 0.0 110.95 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 m -68.15 -49.12 63.04 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.04 -47.97 74.07 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.887 0.475 . . . . 0.0 110.475 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -51.66 -51.27 57.17 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.661 1.984 . . . . 0.0 110.823 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -74.43 -35.19 63.37 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.606 -0.684 . . . . 0.0 112.725 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.22 -54.71 21.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.82 -15.2 61.45 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.223 -1.37 . . . . 0.0 113.019 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -51.81 -41.7 61.93 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.73 1.604 . . . . 0.0 113.052 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -58.35 -56.22 24.95 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.55 -52.99 63.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.693 1.597 . . . . 0.0 112.102 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.13 -54.3 46.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.488 0.715 . . . . 0.0 112.009 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.21 -36.84 85.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.446 0.466 . . . . 0.0 110.899 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.31 -35.2 80.27 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.167 0.587 . . . . 0.0 110.54 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.16 -11.22 60.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.971 0.909 . . . . 0.0 110.268 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.87 57.56 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-O 118.576 -1.125 . . . . 0.0 112.819 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -115.59 137.04 50.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 119.254 1.527 . . . . 0.0 108.221 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -151.71 167.3 28.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.315 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -156.86 28.98 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 124.67 30.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.547 1.939 . . . . 0.0 106.458 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CH2' HG22 ' A' ' 55' ' ' VAL . 78.7 m95 -101.74 100.37 10.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 m -135.74 150.35 49.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.658 1.983 . . . . 0.0 108.12 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -122.03 150.03 42.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.422 1.489 . . . . 0.0 112.063 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.11 101.02 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 128.307 2.643 . . . . 0.0 106.482 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -38.54 86.26 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.65 53.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.277 0.944 . . . . 0.0 111.408 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.15 -14.47 59.09 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.7 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 61.43 53.38 3.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.489 2.315 . . . . 0.0 107.917 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 p -131.77 154.91 48.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.339 1.856 . . . . 0.0 111.499 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.53 102.01 3.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 103.263 -2.866 . . . . 0.0 103.263 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -110.11 126.32 53.92 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.926 1.239 . . . . 0.0 110.214 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG22 ' CH2' ' A' ' 44' ' ' TRP . 16.8 t -81.4 101.02 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -114.7 111.96 22.1 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.255 1.388 0 CA-C-O 118.135 -0.935 . . . . 0.0 109.149 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.18 127.77 43.46 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -84.7 117.51 23.84 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.79 114.62 27.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.52 137.05 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.07 121.21 44.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.26 80.34 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.02 160.46 16.85 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.52 0.581 . . . . 0.0 111.973 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -9.89 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.093 1.757 . . . . 0.0 115.254 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -136.72 -23.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 119.87 1.213 . . . . 0.0 113.787 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 158.65 43.98 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.016 0.926 . . . . 0.0 109.467 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -134.31 165.86 24.15 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.456 1.102 . . . . 0.0 109.963 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.94 160.26 28.96 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -148.85 118.98 7.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -144.11 170.18 16.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.351 1.061 . . . . 0.0 108.857 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.35 136.9 28.34 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.9 -1.125 . . . . 0.0 111.221 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.1 m -148.56 138.94 22.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.913 1.285 . . . . 0.0 108.537 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.76 142.91 28.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.66 0.664 . . . . 0.0 111.202 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.19 166.12 34.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.342 0.657 . . . . 0.0 111.768 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.59 -32.47 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.121 0.968 . . . . 0.0 109.99 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -154.23 166.26 33.71 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.93 69.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.895 -0.574 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -40.5 65.37 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.614 1.166 . . . . 0.0 112.425 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 m -70.85 -46.96 61.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.4 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.083 0.553 . . . . 0.0 112.491 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.53 -55.58 24.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.546 1.938 . . . . 0.0 110.53 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -75.48 -35.99 60.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -55.43 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 120.806 1.639 . . . . 0.0 110.52 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -71.92 -8.59 55.34 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -51.26 -42.89 61.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.571 1.532 . . . . 0.0 113.032 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -55.71 -58.91 5.85 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 124.8 1.24 . . . . 0.0 108.787 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -56.37 -45.73 80.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.871 1.268 . . . . 0.0 112.428 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.539 0.609 . . . . 0.0 111.841 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.64 -29.96 63.9 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.693 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.71 -29.75 70.32 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.385 0.674 . . . . 0.0 109.716 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.82 -12.93 46.5 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.009 1.324 . . . . 0.0 110.69 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.32 18.48 16.71 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.269 -1.295 . . . . 0.0 115.676 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.72 129.26 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 119.902 1.851 . . . . 0.0 109.66 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -143.01 127.11 17.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.41 -156.82 10.64 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.85 106.35 14.61 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.205 1.802 . . . . 0.0 109.515 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -84.02 101.67 11.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.104 1.362 . . . . 0.0 108.746 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 m -115.59 120.56 39.83 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.987 0.812 . . . . 0.0 109.661 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -96.88 145.64 25.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.201 1.401 . . . . 0.0 109.33 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.46 109.59 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -30.97 63.67 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -46.59 71.28 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.004 1.274 . . . . 0.0 109.212 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 m -78.66 -14.49 59.28 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 tttp 51.53 50.75 18.16 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.515 2.726 . . . . 0.0 111.098 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -132.59 154.18 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.459 1.504 . . . . 0.0 109.9 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.44 102.57 4.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -115.16 136.33 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.421 -0.799 . . . . 0.0 112.805 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -95.3 103.12 14.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -112.61 127.35 56.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 126.59 1.956 . . . . 0.0 105.987 179.731 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -95.37 115.0 26.83 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -78.43 111.01 14.01 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.6 117.93 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.05 119.26 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.58 120.5 30.93 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -135.07 82.69 1.97 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.07 0.948 . . . . 0.0 111.163 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 160.96 18.89 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.821 0.724 . . . . 0.0 111.663 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -0.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.083 3.353 . . . . 0.0 119.284 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.8 m -141.84 -35.47 0.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 122.738 2.517 . . . . 0.0 113.515 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 169.42 19.2 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.96 0.8 . . . . 0.0 109.558 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -140.67 167.12 22.92 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.963 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.24 152.37 24.27 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -143.91 117.58 9.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -143.25 163.37 33.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.56 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.41 135.66 44.76 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.341 -0.849 . . . . 0.0 109.298 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 m -149.24 138.71 21.64 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 126.879 2.072 . . . . 0.0 105.989 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.37 139.48 37.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.316 0.962 . . . . 0.0 110.086 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 172.11 13.32 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.508 1.123 . . . . 0.0 110.81 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.36 -19.88 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.44 0.696 . . . . 0.0 110.983 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 163.17 40.57 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.707 0.685 . . . . 0.0 109.705 -179.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.71 97.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.522 0.729 . . . . 0.0 111.39 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.46 77.34 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.986 0.914 . . . . 0.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.5 m -64.7 -30.65 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.133 -0.98 . . . . 0.0 110.067 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.9 57.23 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.258 -0.902 . . . . 0.0 109.516 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.63 -54.26 46.33 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 127.663 2.385 . . . . 0.0 111.296 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -64.55 -43.22 94.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.792 1.237 . . . . 0.0 113.515 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.93 -55.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.96 -12.73 57.02 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.91 -35.17 68.69 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.927 1.239 . . . . 0.0 110.317 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -56.57 -55.53 32.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -39.66 94.86 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 126.37 1.868 . . . . 0.0 111.478 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.25 -54.64 44.54 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.194 0.906 . . . . 0.0 111.165 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -69.07 -36.38 77.56 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.808 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.2 -19.6 63.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.27 -11.89 23.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.179 0.992 . . . . 0.0 110.619 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.7 31.82 9.09 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 120.852 -1.155 . . . . 0.0 114.372 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.57 145.26 34.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.518 1.152 . . . . 0.0 108.114 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -148.06 166.92 26.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.524 1.929 . . . . 0.0 105.879 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.71 -158.49 29.09 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 119.4 1.0 . . . . 0.0 111.946 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -96.88 105.9 18.12 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.425 1.89 . . . . 0.0 109.182 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -77.76 113.94 16.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.4 1.08 . . . . 0.0 108.425 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 m -135.4 121.35 19.88 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -93.67 149.34 21.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.107 0.963 . . . . 0.0 108.765 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -124.23 106.48 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.096 1.759 . . . . 0.0 106.342 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -17.64 64.7 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.56 5.64 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.404 1.002 . . . . 0.0 110.677 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -78.6 -13.17 59.96 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 52.84 41.25 31.75 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.284 2.234 . . . . 0.0 111.636 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.4 p -117.34 154.23 31.63 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.635 1.574 . . . . 0.0 106.865 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.41 101.81 4.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.75 -3.056 . . . . 0.0 102.75 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 136.16 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 95.03 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 1 N-CA-C 97.102 -5.147 . . . . 0.0 97.102 176.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 m -113.29 145.83 40.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 108.604 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.346 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.232 0.184 0 CA-C-O 119.652 -0.214 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -94.56 120.63 35.09 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -74.38 105.63 5.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -87.88 109.5 19.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.858 0.863 . . . . 0.0 110.237 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.65 143.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.235 1.414 . . . . 0.0 107.292 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 35' ' ' ALA . 6.4 mp -112.48 129.62 56.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.54 80.08 1.83 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.89 172.65 54.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 124.706 1.146 . . . . 0.0 111.717 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -7.83 55.99 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.55 -19.76 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 160.61 42.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -125.96 166.93 16.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.216 1.407 . . . . 0.0 110.178 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.35 161.36 30.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.11 122.34 9.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -142.79 165.99 25.86 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.239 1.416 . . . . 0.0 110.885 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -149.02 135.38 19.33 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.455 -0.778 . . . . 0.0 110.307 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.5 m -148.66 138.29 22.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.412 1.885 . . . . 0.0 106.313 177.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.41 121.27 35.77 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 171.79 9.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.253 1.421 . . . . 0.0 109.22 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.33 -37.79 32.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.058 -0.496 . . . . 0.0 109.742 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.38 166.0 27.65 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.36 0.664 . . . . 0.0 110.229 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.87 -43.49 77.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.228 1.411 . . . . 0.0 111.772 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 118.337 0.517 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.5 m -66.13 -49.17 68.38 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.7 84.56 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.821 0.448 . . . . 0.0 110.741 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -58.75 -54.41 47.44 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.503 1.521 . . . . 0.0 109.694 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -61.92 -35.87 79.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.18 -56.91 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.468 1.031 . . . . 0.0 111.43 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -65.79 -14.66 61.8 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -57.11 -31.19 65.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.434 1.47 . . . . 0.0 110.635 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.32 -56.51 20.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.115 1.366 . . . . 0.0 107.863 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.83 -44.88 90.99 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 110.724 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -59.8 -55.28 36.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.645 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -70.75 -32.12 69.18 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.622 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.05 -31.74 72.95 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.055 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -93.23 -0.27 56.87 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.675 0.79 . . . . 0.0 112.605 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.81 32.68 12.4 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.073 -1.404 . . . . 0.0 115.814 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.7 t -120.79 133.03 68.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 119.976 1.888 . . . . 0.0 109.425 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -148.03 98.54 2.95 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.317 1.047 . . . . 0.0 109.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.43 -172.69 18.58 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 123.519 0.581 . . . . 0.0 112.255 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.53 125.38 26.53 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.319 1.047 . . . . 0.0 111.108 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -88.4 99.92 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.918 1.687 . . . . 0.0 108.838 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.7 m -120.23 122.89 41.91 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.15 0.58 . . . . 0.0 110.091 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -99.14 149.63 22.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.743 2.017 . . . . 0.0 111.983 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -137.35 92.0 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -65.95 -19.8 65.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.213 1.405 . . . . 0.0 113.365 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.6 -50.81 9.48 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -78.46 -14.21 59.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 61.55 33.06 18.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 127.846 2.458 . . . . 0.0 110.936 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 p -117.57 154.34 31.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.23 122.82 12.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.101 -3.296 . . . . 0.0 102.101 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.6 135.7 54.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.196 0.453 . . . . 0.0 111.549 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.34 95.8 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 100.849 -3.76 . . . . 0.0 100.849 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 m -105.25 124.54 49.72 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 109.238 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.249 1.03 0 C-N-CA 126.447 1.899 . . . . 0.0 110.687 -178.585 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.8 m . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -123.32 125.61 45.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.725 1.21 . . . . 0.0 107.855 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -86.73 111.9 21.15 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 107.16 17.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.511 1.124 . . . . 0.0 109.348 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.33 123.85 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.61 119.49 39.58 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.15 106.37 9.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.656 1.182 . . . . 0.0 108.067 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.44 178.4 17.69 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.282 0.944 . . . . 0.0 113.54 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -6.67 56.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.011 0.924 . . . . 0.0 112.791 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -137.35 -27.16 0.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 170.42 17.17 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.552 1.141 . . . . 0.0 111.512 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -141.04 166.36 25.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.857 1.663 . . . . 0.0 109.765 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.39 161.05 31.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.42 118.85 8.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 p -138.07 175.21 9.78 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.307 1.043 . . . . 0.0 110.672 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.9 p -134.53 143.27 47.33 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.906 -1.121 . . . . 0.0 111.143 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.483 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -146.68 138.97 24.87 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -116.16 110.45 18.84 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.47 165.43 26.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.366 1.466 . . . . 0.0 109.856 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.83 -26.47 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.117 0.967 . . . . 0.0 112.306 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.03 157.76 44.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.912 0.778 . . . . 0.0 111.772 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.5 -37.8 82.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.529 1.532 . . . . 0.0 109.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.12 75.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.505 0.722 . . . . 0.0 110.84 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -65.37 -45.76 82.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.53 0.604 . . . . 0.0 109.468 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -49.76 72.24 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.91 -55.09 37.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.501 1.52 . . . . 0.0 111.903 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.92 -48.26 82.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.874 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.77 -52.26 41.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.187 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CE2' ' HB ' ' A' ' 19' ' ' THR . 1.9 m-85 -65.46 -16.22 63.42 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-O 117.713 -1.137 . . . . 0.0 113.041 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.81 -33.43 61.56 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 120.411 1.46 . . . . 0.0 111.069 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.51 -58.63 7.47 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -44.27 96.89 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 125.591 1.557 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.91 -53.68 55.51 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.597 0.759 . . . . 0.0 110.674 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.06 -42.54 99.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.957 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.86 -32.71 74.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.468 1.507 . . . . 0.0 111.564 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -78.86 -19.34 52.22 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.436 1.095 . . . . 0.0 109.765 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.51 21.73 9.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.98 1.276 . . . . 0.0 115.278 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.08 131.59 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 119.632 1.716 . . . . 0.0 108.964 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -151.97 98.44 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.6 -156.96 7.45 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 123.641 0.639 . . . . 0.0 112.792 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -69.96 105.85 2.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.509 1.524 . . . . 0.0 112.459 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -84.62 104.37 14.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.709 1.603 . . . . 0.0 109.771 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -120.64 124.96 46.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.351 1.432 . . . . 0.0 110.787 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -91.39 148.76 22.09 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.492 1.117 . . . . 0.0 110.071 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -135.31 92.4 2.85 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.529 1.932 . . . . 0.0 106.583 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -21.25 65.64 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.619 -0.676 . . . . 0.0 112.111 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.39 -49.41 42.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 119.031 0.832 . . . . 0.0 109.411 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -89.4 -10.57 46.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.32 0.509 . . . . 0.0 110.872 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.36 54.36 3.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.15 2.18 . . . . 0.0 109.315 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 p -131.22 154.69 48.16 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 127.053 2.141 . . . . 0.0 107.727 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.44 102.79 4.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -105.16 136.37 44.79 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.91 96.66 4.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 101.692 -3.448 . . . . 0.0 101.692 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -97.04 88.49 4.52 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.252 1.231 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.218 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mmt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.49 147.22 18.49 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 107.554 -2.219 . . . . 0.0 107.554 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m -95.43 116.98 29.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.878 0.839 . . . . 0.0 110.61 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -95.34 128.3 42.07 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -92.02 114.88 27.54 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.387 1.875 . . . . 0.0 106.824 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.81 122.71 36.57 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.933 0.893 . . . . 0.0 109.658 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.67 112.64 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -82.37 113.62 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -117.99 79.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.18 171.23 25.46 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-O 122.799 1.222 . . . . 0.0 113.433 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 2.57 42.56 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.646 1.579 . . . . 0.0 112.419 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -141.3 -35.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.456 0.702 . . . . 0.0 112.426 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.8 166.96 25.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.516 1.126 . . . . 0.0 109.664 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -138.43 166.54 23.99 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.307 1.443 . . . . 0.0 110.71 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.04 158.52 28.92 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -143.41 118.92 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 p -139.94 170.14 16.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.885 1.274 . . . . 0.0 109.411 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -141.34 135.28 30.35 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.014 -1.054 . . . . 0.0 110.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 m -149.49 137.92 20.79 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.32 1.048 . . . . 0.0 108.721 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.27 146.66 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.097 0.862 . . . . 0.0 109.633 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.76 171.6 20.01 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.762 1.625 . . . . 0.0 109.333 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -70.11 -28.86 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.485 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.87 166.88 31.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.578 1.081 . . . . 0.0 113.604 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.73 -45.45 74.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.964 2.105 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.91 65.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.353 0.524 . . . . 0.0 112.31 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.2 m -75.78 -38.47 58.26 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.098 -1.001 . . . . 0.0 108.998 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.57 65.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.04 -54.08 50.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -54.09 -44.59 71.35 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.981 -0.449 . . . . 0.0 112.102 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.83 -56.24 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.388 0.275 . . . . 0.0 110.411 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.27 -22.65 65.04 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -57.0 -30.97 64.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.446 1.475 . . . . 0.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -56.6 -57.74 11.08 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -42.75 96.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 127.317 2.247 . . . . 0.0 112.031 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.66 -54.95 40.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.914 0.779 . . . . 0.0 111.236 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.99 -29.91 67.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.644 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.47 -36.08 80.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -77.99 -21.52 50.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.33 1.052 . . . . 0.0 112.396 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.83 27.52 5.39 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.955 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 t -125.55 126.34 70.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.745 1.273 . . . . 0.0 108.092 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.17 98.82 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.28 -157.0 7.02 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-O 121.586 0.548 . . . . 0.0 113.838 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.65 106.51 13.65 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.607 2.363 . . . . 0.0 112.198 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -75.22 110.29 9.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.765 2.026 . . . . 0.0 108.572 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -129.14 128.46 43.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.083 0.953 . . . . 0.0 109.525 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -111.07 150.47 29.31 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.398 1.479 . . . . 0.0 113.962 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -134.03 106.59 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.21 -25.72 62.63 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 120.85 -1.156 . . . . 0.0 112.661 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.53 97.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.178 0.899 . . . . 0.0 110.494 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -99.29 -8.8 24.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.458 1.503 . . . . 0.0 110.465 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 59.56 29.75 19.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.96 2.104 . . . . 0.0 111.178 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -96.88 153.69 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.487 1.115 . . . . 0.0 108.484 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.42 101.95 3.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.6 m -101.54 136.65 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.318 1.047 . . . . 0.0 112.063 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.9 t -108.09 100.33 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.6 m -97.18 121.85 39.54 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.373 0.669 . . . . 0.0 110.044 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.065 1.346 . . . . 0.0 108.904 179.728 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.97 143.55 11.28 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.682 1.134 . . . . 0.0 112.556 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.74 122.99 39.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.5 113.42 25.26 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -74.35 126.61 31.06 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.97 119.88 38.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.74 115.71 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.48 116.97 29.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -127.76 117.02 21.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.39 1.076 . . . . 0.0 108.163 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.77 -172.26 18.39 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 119.225 0.92 . . . . 0.0 114.52 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -11.97 59.11 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 116.496 2.035 . . . . 0.0 116.496 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 m -126.18 -34.61 2.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.515 1.507 . . . . 0.0 113.067 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 170.26 17.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.114 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -131.87 164.98 24.89 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 125.938 1.695 . . . . 0.0 108.383 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.58 159.9 28.68 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -154.91 121.19 5.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -148.56 168.58 22.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.322 1.449 . . . . 0.0 109.262 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -138.39 135.31 35.17 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 120.755 -1.215 . . . . 0.0 110.22 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -149.68 138.96 21.35 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.529 1.132 . . . . 0.0 109.392 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.44 151.24 19.74 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.93 179.13 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.898 1.279 . . . . 0.0 108.123 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -97.78 -19.6 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.326 0.65 . . . . 0.0 110.043 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.68 150.36 31.0 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.27 87.81 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.113 0.565 . . . . 0.0 110.198 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.84 71.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.749 0.82 . . . . 0.0 111.401 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -70.84 -44.31 66.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.86 97.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.936 0.494 . . . . 0.0 110.711 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.75 -52.63 38.8 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.555 2.342 . . . . 0.0 110.284 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -71.01 -36.51 72.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.85 -56.34 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.323 0.965 . . . . 0.0 109.415 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.24 -13.09 57.5 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -57.08 -38.09 72.83 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.554 1.07 . . . . 0.0 109.55 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -53.53 -56.37 17.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.049 0.94 . . . . 0.0 108.983 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.45 -44.7 89.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.98 -54.31 48.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.965 0.802 . . . . 0.0 110.317 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.44 -50.53 73.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.46 0.704 . . . . 0.0 111.015 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -32.31 72.01 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.834 0.854 . . . . 0.0 113.164 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -83.28 -5.84 59.27 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.76 33.08 10.27 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-O 118.344 -1.254 . . . . 0.0 113.527 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.66 148.09 31.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 119.348 1.574 . . . . 0.0 110.332 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -157.86 102.66 1.84 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.13 -173.06 16.03 Favored Glycine 0 C--N 1.334 0.461 0 O-C-N 122.252 -0.28 . . . . 0.0 112.462 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.16 112.71 15.4 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 127.951 2.501 . . . . 0.0 110.644 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -84.3 113.7 21.32 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.508 1.523 . . . . 0.0 111.116 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -125.36 120.47 31.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 119.293 0.951 . . . . 0.0 108.751 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -89.21 148.69 23.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -141.34 81.73 1.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -23.58 67.15 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -50.47 46.11 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -78.38 -14.16 59.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.087 0.403 . . . . 0.0 110.049 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 68.13 42.29 1.8 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.159 2.584 . . . . 0.0 111.05 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.5 p -131.96 153.91 49.83 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.92 1.288 . . . . 0.0 111.468 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.82 101.64 4.0 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 m -103.71 137.24 42.02 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.533 1.133 . . . . 0.0 112.812 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.95 110.8 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 101.553 -3.499 . . . . 0.0 101.553 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.9 m -103.37 108.62 19.93 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.523 1.129 . . . . 0.0 109.913 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.251 1.178 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.66 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.16 174.5 36.92 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -95.15 116.47 28.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.08 136.42 35.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -94.99 106.66 18.67 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 122.57 33.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.892 0.877 . . . . 0.0 108.759 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.92 121.64 64.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' A' ' 35' ' ' ALA . 6.2 mp -102.08 113.56 26.92 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.82 79.25 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.46 -179.31 52.67 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 124.428 1.013 . . . . 0.0 113.043 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -8.2 56.23 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -140.95 -21.93 0.78 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.292 0.637 . . . . 0.0 112.373 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.74 169.96 17.97 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 111.23 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -134.65 165.61 24.85 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.681 1.193 . . . . 0.0 112.734 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.1 159.93 30.04 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.55 118.67 5.5 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 p -142.55 165.86 26.24 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.099 0.96 . . . . 0.0 110.782 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -133.96 136.68 44.33 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -146.34 138.08 24.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.928 1.291 . . . . 0.0 107.96 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.29 141.34 30.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.6 161.32 39.43 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.186 0.594 . . . . 0.0 110.285 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.66 -44.65 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.539 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -146.71 165.6 29.12 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.279 1.432 . . . . 0.0 107.824 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -32.93 68.79 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.468 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.19 82.78 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.953 1.251 . . . . 0.0 110.288 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 m -63.33 -36.33 83.33 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.17 5.13 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -51.85 -53.99 34.19 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.192 2.597 . . . . 0.0 112.998 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.03 -58.04 9.6 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.736 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.44 -43.39 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.526 0.731 . . . . 0.0 109.831 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -57.65 -30.92 65.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.09 0.859 . . . . 0.0 112.419 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -61.66 -31.03 71.12 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.508 1.049 . . . . 0.0 111.049 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.94 -53.24 60.24 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.06 -50.91 64.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.164 0.986 . . . . 0.0 111.345 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -54.94 -54.56 41.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.54 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -67.36 -29.45 68.99 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.112 0.415 . . . . 0.0 111.946 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.6 -22.35 62.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.106 0.866 . . . . 0.0 110.135 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -100.53 2.27 41.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.33 1.452 . . . . 0.0 111.728 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.99 26.79 52.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.06 -1.025 . . . . 0.0 114.685 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.1 t -120.84 120.97 63.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 118.695 1.247 . . . . 0.0 107.873 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -155.43 98.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.65 -156.08 8.29 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 125.43 1.49 . . . . 0.0 110.59 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.6 126.52 30.85 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -96.16 113.39 24.99 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.609 1.163 . . . . 0.0 110.852 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -132.97 141.46 48.32 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -122.24 150.45 42.28 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 126.614 1.966 . . . . 0.0 111.535 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -134.26 124.62 26.2 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -33.6 64.41 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.022 -1.049 . . . . 0.0 113.126 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.2 81.19 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.685 1.129 . . . . 0.0 111.158 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -94.99 -13.75 24.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.623 1.169 . . . . 0.0 111.615 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 60.15 26.98 16.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.108 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.4 p -91.25 154.84 18.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.257 1.423 . . . . 0.0 109.998 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.52 102.5 4.34 Favored 'General case' 0 N--CA 1.44 -0.953 1 N-CA-C 99.355 -4.313 . . . . 0.0 99.355 177.691 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -114.6 135.61 53.94 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.0 t -110.13 105.66 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 m -107.75 117.54 34.37 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 125.822 1.649 . . . . 0.0 108.426 -179.385 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.43 160.36 15.08 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 125.141 1.353 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m -119.53 104.06 9.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -94.42 109.92 21.74 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -74.12 118.08 16.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.81 126.33 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 124.819 1.247 . . . . 0.0 110.624 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.74 128.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -106.34 119.69 39.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -127.54 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.07 -178.78 47.33 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.772 0.701 . . . . 0.0 114.016 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -12.99 56.41 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 118.663 -0.684 . . . . 0.0 112.382 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.41 -17.48 1.53 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.862 0.756 . . . . 0.0 112.865 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 167.84 23.51 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.182 0.993 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -134.81 165.89 24.25 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.142 1.377 . . . . 0.0 108.319 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.47 163.45 32.53 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -149.65 119.54 7.12 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -140.96 176.01 9.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.615 1.566 . . . . 0.0 108.538 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 t -158.92 136.46 10.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.636 -1.915 . . . . 0.0 110.035 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -149.38 140.66 23.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.413 2.285 . . . . 0.0 108.891 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.62 149.42 24.31 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 109.841 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.28 42.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.176 1.391 . . . . 0.0 111.467 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.05 -43.76 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 122.751 0.42 . . . . 0.0 109.911 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.52 165.17 27.55 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.227 1.411 . . . . 0.0 109.335 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.4 91.06 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.08 65.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.422 1.01 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -68.57 -48.88 63.08 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.92 94.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 112.502 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -53.74 -54.26 40.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 127.462 2.305 . . . . 0.0 110.346 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -57.22 -49.64 75.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.76 -56.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 124.3 1.04 . . . . 0.0 111.06 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.46 -12.08 61.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -56.05 -33.51 65.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.337 1.426 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.98 -58.08 9.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.198 1.399 . . . . 0.0 109.526 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -39.22 91.89 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.573 1.149 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -52.67 64.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.709 0.686 . . . . 0.0 110.018 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.2 -45.52 91.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -36.28 77.19 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.666 0.786 . . . . 0.0 112.468 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -81.95 -5.28 58.18 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.578 0.751 . . . . 0.0 111.639 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 32.69 10.88 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 117.667 -1.63 . . . . 0.0 116.262 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.7 t -125.48 146.31 31.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 120.736 2.268 . . . . 0.0 110.469 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.04 98.77 1.91 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.425 -1.695 . . . . 0.0 106.425 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.24 -176.29 17.14 Favored Glycine 0 C--N 1.331 0.258 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.82 105.55 2.82 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.962 0.505 . . . . 0.0 110.158 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -68.2 104.21 1.76 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.985 1.314 . . . . 0.0 108.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -120.16 119.72 34.09 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -94.56 150.51 20.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.215 1.406 . . . . 0.0 110.631 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -137.46 83.19 1.97 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -21.16 66.62 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.323 -0.861 . . . . 0.0 110.945 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -59.29 4.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.15 0.886 . . . . 0.0 109.486 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -83.0 2.69 33.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.86 0.864 . . . . 0.0 111.154 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 54.66 50.76 15.2 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.947 1.699 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -131.9 154.65 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.804 1.642 . . . . 0.0 109.045 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -148.01 102.43 3.39 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 m -106.57 136.36 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -106.65 102.8 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 m -105.48 109.55 21.56 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.396 1.079 . . . . 0.0 109.5 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.402 1.481 . . . . 0.0 112.042 -179.252 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.667 0.746 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.18 167.68 20.34 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 127.669 2.557 . . . . 0.0 108.467 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 m -113.21 140.67 47.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -143.71 96.18 2.86 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -74.05 131.2 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.324 1.049 . . . . 0.0 108.439 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 134.64 33.63 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.499 0.719 . . . . 0.0 110.07 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.64 103.74 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 105.148 -2.168 . . . . 0.0 105.148 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -83.64 117.86 23.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.46 78.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.19 179.78 49.61 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 124.527 1.061 . . . . 0.0 112.887 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -2.27 58.31 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.898 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -139.13 -25.98 0.85 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.632 0.651 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.23 168.91 20.53 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.211 1.404 . . . . 0.0 111.291 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -137.28 166.31 24.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.306 1.442 . . . . 0.0 111.028 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.42 157.34 28.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -143.77 118.77 10.02 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.054 0.942 . . . . 0.0 109.138 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -138.71 172.38 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.762 1.625 . . . . 0.0 108.542 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -143.69 134.49 25.22 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.837 -1.164 . . . . 0.0 109.738 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m -150.44 138.42 20.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.273 1.829 . . . . 0.0 110.952 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.3 156.59 16.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.239 1.016 . . . . 0.0 109.554 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.4 166.34 31.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.503 1.521 . . . . 0.0 109.278 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -78.74 -27.61 13.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 121.213 -0.929 . . . . 0.0 111.29 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.32 154.77 42.05 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.212 1.005 . . . . 0.0 110.226 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.85 72.43 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.735 0.647 . . . . 0.0 109.654 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.8 75.49 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.223 -0.923 . . . . 0.0 111.647 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -69.89 -43.8 71.04 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.78 83.25 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.68 -46.15 84.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.665 1.186 . . . . 0.0 110.43 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.52 -45.94 92.1 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.232 -0.917 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.76 -56.72 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.621 0.768 . . . . 0.0 111.864 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -60.93 -30.32 70.14 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.02 -29.48 70.31 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.504 1.047 . . . . 0.0 112.216 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.15 -57.69 8.82 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.88 -48.08 73.45 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.229 1.811 . . . . 0.0 112.366 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.32 59.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.626 0.648 . . . . 0.0 109.923 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.62 -42.85 97.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.25 -17.53 64.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.118 0.567 . . . . 0.0 112.143 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.58 -4.66 30.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.836 1.654 . . . . 0.0 111.704 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.45 28.15 25.49 Favored Glycine 0 CA--C 1.526 0.755 0 O-C-N 120.754 -1.216 . . . . 0.0 113.757 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.76 145.08 34.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -167.61 99.07 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 -160.73 9.83 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-O 121.852 0.696 . . . . 0.0 112.258 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.18 105.53 9.47 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.24 1.016 . . . . 0.0 108.84 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -72.99 106.98 5.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 126.688 1.995 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -125.09 139.54 53.69 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -130.84 149.47 52.46 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.654 1.181 . . . . 0.0 111.201 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -141.66 110.08 5.99 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -20.12 63.43 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.75 -54.79 10.41 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.376 0.989 . . . . 0.0 108.859 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 m -78.6 -13.15 59.97 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.0 2.12 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mttp 59.61 53.63 4.92 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.069 1.748 . . . . 0.0 108.511 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 p -131.99 153.95 49.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.995 0.918 . . . . 0.0 110.887 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.72 102.71 4.09 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 178.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.4 m -107.2 136.48 46.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.991 0.916 . . . . 0.0 110.862 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 t -110.96 96.4 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 102.344 -3.206 . . . . 0.0 102.344 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -100.84 134.21 44.16 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.809 0.444 . . . . 0.0 111.383 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 C--O 1.246 0.879 0 C-N-CA 127.593 2.357 . . . . 0.0 107.229 179.028 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 120.244 0.069 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.71 144.22 16.29 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -98.22 145.79 26.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.92 100.39 5.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -74.55 135.26 42.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -110.28 126.29 54.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.682 0.674 . . . . 0.0 110.21 -178.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.61 107.26 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -85.99 113.57 22.19 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.38 79.9 1.79 Allowed 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.2 174.43 43.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 114.768 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -10.32 59.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.709 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -134.67 -24.65 1.51 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.967 0.803 . . . . 0.0 112.182 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.39 26.84 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.628 1.104 . . . . 0.0 110.921 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -134.81 166.61 22.59 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 125.363 1.465 . . . . 0.0 111.547 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.44 163.05 34.31 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -146.26 119.07 8.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -142.16 -179.55 6.31 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.908 1.683 . . . . 0.0 107.93 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -158.72 137.52 11.16 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.996 -1.69 . . . . 0.0 108.292 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -148.25 139.06 23.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.774 1.63 . . . . 0.0 107.454 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -91.53 145.89 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.09 149.52 24.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.296 1.039 . . . . 0.0 109.021 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.79 -24.72 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.501 1.12 . . . . 0.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -151.84 157.94 42.59 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 119.342 0.974 . . . . 0.0 111.095 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.95 81.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.832 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.49 88.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.073 0.851 . . . . 0.0 110.702 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.1 m -69.1 -46.87 66.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.47 73.09 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.12 -55.13 38.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.147 1.779 . . . . 0.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.28 -36.84 85.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.638 1.108 . . . . 0.0 112.39 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.4 -55.98 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' A' ' 6' ' ' LEU . 16.9 m-85 -61.48 -23.75 66.11 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -56.47 -29.62 61.94 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.438 0.563 . . . . 0.0 110.892 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.98 -58.61 6.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.962 0.505 . . . . 0.0 110.074 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.24 -32.95 70.44 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.042 0.537 . . . . 0.0 112.055 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.01 16.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 118.881 0.764 . . . . 0.0 110.08 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -67.37 -30.58 70.41 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.31 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.2 -25.92 64.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.689 0.795 . . . . 0.0 112.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -101.78 -14.79 17.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.818 0.847 . . . . 0.0 113.265 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.96 31.17 4.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.59 139.81 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 118.238 1.019 . . . . 0.0 110.085 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -167.87 98.41 0.46 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.126 2.171 . . . . 0.0 105.896 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.46 -165.68 10.62 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 126.33 1.919 . . . . 0.0 109.219 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.33 125.74 27.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' HG22 ' A' ' 55' ' ' VAL . 75.5 m95 -98.57 123.13 42.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.089 1.356 . . . . 0.0 110.866 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -138.45 147.2 43.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.373 0.988 . . . . 0.0 108.958 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -120.79 150.46 40.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.743 1.217 . . . . 0.0 111.209 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.94 94.56 3.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.605 2.362 . . . . 0.0 106.766 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -21.85 66.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.888 -0.508 . . . . 0.0 111.232 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.03 6.04 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.478 -0.764 . . . . 0.0 109.539 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -85.23 -4.63 59.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.977 1.311 . . . . 0.0 109.839 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 61.15 43.13 11.41 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.605 1.962 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -117.34 154.03 31.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 110.78 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.15 127.86 29.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -127.0 137.41 53.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.256 0.622 . . . . 0.0 111.816 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' CE3' ' A' ' 44' ' ' TRP . 3.9 t -112.59 112.05 38.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 102.149 -3.278 . . . . 0.0 102.149 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.8 m -114.22 107.79 16.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.811 0.695 . . . . 0.0 111.42 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.253 1.285 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.304 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.89 169.97 35.95 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -96.15 113.41 25.01 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.57 165.59 12.45 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.678 0.752 . . . . 0.0 112.18 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -123.06 107.84 12.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.371 2.268 . . . . 0.0 106.424 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.72 117.5 23.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -109.91 98.23 6.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.9 112.99 18.79 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -120.21 80.53 1.62 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.92 1.288 . . . . 0.0 109.298 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.32 177.44 52.87 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-O 121.855 0.697 . . . . 0.0 112.977 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -86.2 -9.97 55.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.811 1.245 . . . . 0.0 112.806 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.97 -22.72 1.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.402 0.681 . . . . 0.0 112.656 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.61 169.9 18.65 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.372 1.469 . . . . 0.0 110.126 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -140.66 166.5 24.59 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.23 1.412 . . . . 0.0 109.834 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.33 162.35 33.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.76 119.7 7.65 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 121.643 -0.916 . . . . 0.0 108.704 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -138.96 163.62 31.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.759 1.224 . . . . 0.0 109.518 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -130.67 135.25 47.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.924 -1.11 . . . . 0.0 109.858 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -150.08 138.68 20.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.602 1.561 . . . . 0.0 108.143 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -97.69 156.17 16.67 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.464 1.029 . . . . 0.0 110.564 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.13 166.15 30.33 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.983 0.913 . . . . 0.0 110.9 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.36 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.53 166.12 32.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.852 0.861 . . . . 0.0 111.178 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.58 64.17 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.671 1.988 . . . . 0.0 112.058 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 -40.34 67.92 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.518 0.599 . . . . 0.0 112.015 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -70.68 -42.54 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.86 76.13 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.106 0.866 . . . . 0.0 109.635 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.61 -45.52 66.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.116 2.167 . . . . 0.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -69.65 -47.91 61.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.645 1.578 . . . . 0.0 112.403 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.02 -52.98 53.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.74 -18.12 63.71 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -58.14 -31.71 67.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 120.115 1.325 . . . . 0.0 109.853 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -63.68 -38.13 89.96 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.623 1.569 . . . . 0.0 112.536 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.96 38.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.068 0.849 . . . . 0.0 111.374 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.21 -35.26 76.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.581 0.628 . . . . 0.0 110.909 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.77 -9.53 44.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.617 1.167 . . . . 0.0 111.686 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -115.1 -1.56 12.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.525 1.53 . . . . 0.0 111.162 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.07 31.55 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.44 142.14 43.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 119.711 1.756 . . . . 0.0 110.635 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -156.04 98.42 1.88 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.65 -170.94 12.02 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -74.92 111.48 10.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.398 0.679 . . . . 0.0 110.497 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.81 100.37 7.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.302 1.841 . . . . 0.0 109.646 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.3 m -125.31 136.3 53.35 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.352 1.061 . . . . 0.0 109.449 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -119.29 150.48 40.05 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -122.22 102.85 8.38 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.999 2.12 . . . . 0.0 105.432 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.23 -27.58 68.08 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.85 -1.156 . . . . 0.0 112.871 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.93 77.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.544 0.611 . . . . 0.0 111.316 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -108.08 -3.9 18.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.469 1.908 . . . . 0.0 111.086 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm 53.64 29.57 9.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.85 1.66 . . . . 0.0 111.966 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 p -97.6 153.18 18.36 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.633 1.173 . . . . 0.0 107.899 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.59 102.18 4.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 m -96.91 137.15 36.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 111.513 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.85 98.02 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 N-CA-C 103.203 -2.888 . . . . 0.0 103.203 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.3 m -102.29 109.59 21.31 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.157 0.983 . . . . 0.0 110.304 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 . . . . . 0 C--O 1.248 0.996 0 C-N-CA 124.464 1.106 . . . . 0.0 110.139 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttm . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.72 174.03 36.51 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.1 m -94.72 113.81 25.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -94.38 149.81 20.88 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -126.32 105.29 8.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -97.22 111.8 23.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.675 0.79 . . . . 0.0 108.882 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.57 141.35 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.33 123.85 47.57 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -123.74 88.88 2.99 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.51 153.12 17.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 123.351 0.5 . . . . 0.0 112.616 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.37 5.28 0.07 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.791 2.436 . . . . 0.0 115.659 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.4 m -140.83 -35.66 0.48 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.341 1.056 . . . . 0.0 111.472 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 164.91 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.022 0.929 . . . . 0.0 111.71 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -134.49 166.03 23.82 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.947 1.299 . . . . 0.0 108.652 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.8 164.4 34.67 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.29 119.45 5.89 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -133.58 160.42 37.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.335 1.054 . . . . 0.0 109.872 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.0 p -133.21 136.27 45.53 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.082 0.856 . . . . 0.0 110.444 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -148.5 138.66 22.46 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.752 -1.218 . . . . 0.0 109.052 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.48 140.39 37.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.893 0.77 . . . . 0.0 109.836 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 164.52 38.33 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.665 0.786 . . . . 0.0 111.247 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.85 -21.42 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.183 1.393 . . . . 0.0 111.135 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.38 142.0 27.76 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.81 69.88 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.819 1.247 . . . . 0.0 111.728 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.8 86.93 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.332 0.653 . . . . 0.0 110.161 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -31.84 72.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.16 0.984 . . . . 0.0 110.091 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.75 21.56 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.11 -50.43 69.25 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.377 1.871 . . . . 0.0 112.311 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -53.63 -39.25 64.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.409 0.549 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.83 -53.8 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.092 0.86 . . . . 0.0 109.176 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -58.75 -23.93 60.77 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -52.65 -43.6 65.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.129 0.877 . . . . 0.0 112.658 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.14 -57.71 11.86 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.415 1.086 . . . . 0.0 108.901 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -52.27 -52.85 50.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 111.312 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.23 -54.04 51.29 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.685 0.675 . . . . 0.0 111.508 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -59.31 -50.21 74.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.901 0.88 . . . . 0.0 112.16 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.41 -38.65 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.981 1.312 . . . . 0.0 112.257 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -78.39 0.19 26.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.132 0.973 . . . . 0.0 112.862 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.38 22.88 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.426 -0.652 . . . . 0.0 114.487 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.23 153.36 24.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 118.858 1.329 . . . . 0.0 109.454 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.31 168.01 22.93 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.142 2.177 . . . . 0.0 107.143 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.42 -166.05 31.57 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -84.81 139.29 32.03 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -103.42 99.55 9.38 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.03 0.919 . . . . 0.0 109.504 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m -118.09 128.97 55.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 127.247 2.219 . . . . 0.0 107.071 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -116.49 149.1 40.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.199 1.4 . . . . 0.0 110.083 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.98 95.95 3.54 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.14 59.38 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.704 -0.623 . . . . 0.0 111.073 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 -58.51 3.84 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.501 1.121 . . . . 0.0 108.605 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -77.3 -13.13 59.99 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm 61.57 51.55 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.876 2.071 . . . . 0.0 111.666 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -132.47 152.14 51.63 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.091 1.756 . . . . 0.0 109.765 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.62 107.6 3.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -128.47 125.69 38.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.591 1.087 . . . . 0.0 110.79 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -83.59 110.88 18.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -123.5 127.91 49.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.429 1.092 . . . . 0.0 109.17 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.287 1.435 . . . . 0.0 107.879 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.89 126.25 41.74 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.1 m -95.43 117.92 31.23 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -94.09 120.3 34.14 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -74.37 124.81 27.19 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.04 119.04 34.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.34 108.51 24.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 102.65 -3.093 . . . . 0.0 102.65 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 tp -94.95 113.58 25.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.284 1.433 . . . . 0.0 107.725 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.01 86.13 2.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.466 1.507 . . . . 0.0 108.914 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.64 -169.61 46.07 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.94 0.781 . . . . 0.0 112.579 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -6.8 32.51 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.7 m -141.64 -17.4 0.78 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.938 -1.102 . . . . 0.0 112.325 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 166.08 27.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.756 1.623 . . . . 0.0 109.434 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -136.59 166.06 24.42 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.059 1.344 . . . . 0.0 108.972 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.84 156.96 27.26 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.769 -1.333 . . . . 0.0 109.769 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -147.42 118.26 7.61 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -140.95 175.69 9.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 110.226 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 p -145.24 135.32 23.83 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.267 -0.896 . . . . 0.0 109.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -149.76 138.98 21.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.418 1.487 . . . . 0.0 107.791 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.39 147.72 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.77 179.04 9.46 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 126.051 1.74 . . . . 0.0 109.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.0 -44.31 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.453 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -151.57 176.5 11.28 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.529 1.059 . . . . 0.0 110.098 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.47 62.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.751 1.62 . . . . 0.0 113.253 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.7 73.92 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 119.618 1.099 . . . . 0.0 111.865 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.8 m -65.48 -35.81 81.99 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.564 -0.71 . . . . 0.0 110.316 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.78 63.03 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.856 0.753 . . . . 0.0 109.284 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.41 -54.09 41.88 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 128.126 2.57 . . . . 0.0 111.085 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -65.07 -53.46 45.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.718 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.78 -53.65 39.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.711 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.08 -13.42 61.91 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 117.186 -1.388 . . . . 0.0 113.381 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -58.1 -32.82 68.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.041 1.746 . . . . 0.0 109.384 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.81 -58.21 9.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -59.92 -46.88 87.96 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.579 1.152 . . . . 0.0 110.951 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -54.92 39.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.955 0.502 . . . . 0.0 111.171 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.06 -29.51 67.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 -21.43 61.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.969 0.907 . . . . 0.0 109.925 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -95.15 -1.64 51.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.334 1.854 . . . . 0.0 109.422 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.55 28.79 42.03 Favored Glycine 0 C--N 1.34 0.795 0 O-C-N 120.753 -1.217 . . . . 0.0 114.699 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 t -126.36 127.02 70.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 118.617 1.208 . . . . 0.0 110.28 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -150.9 97.53 2.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.44 -156.95 8.4 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 124.347 0.975 . . . . 0.0 111.321 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.42 113.01 19.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.977 1.311 . . . . 0.0 110.243 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -88.52 104.89 17.24 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.15 1.78 . . . . 0.0 109.76 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 120.48 32.19 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.16 0.981 . . . . 0.0 110.213 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -93.26 150.55 20.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.109 1.764 . . . . 0.0 111.408 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -136.33 94.41 3.02 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -34.79 78.74 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.649 -0.657 . . . . 0.0 111.793 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -51.73 66.25 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.303 1.041 . . . . 0.0 109.865 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -80.84 -13.95 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.052 0.941 . . . . 0.0 110.656 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.256 9.4 ttmt 57.61 51.95 8.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.835 2.854 . . . . 0.0 110.76 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -132.48 154.38 49.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 109.221 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.9 101.67 3.45 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m -101.62 137.31 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.955 0.902 . . . . 0.0 112.801 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.4 t -109.78 103.52 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 103.906 -2.627 . . . . 0.0 103.906 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -112.62 109.18 18.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.724 0.693 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 126.239 1.815 . . . . 0.0 107.536 178.713 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtp . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.79 163.24 32.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.604 -0.999 . . . . 0.0 110.604 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 m -95.66 104.39 16.31 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -94.64 97.21 9.94 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.9 0.857 . . . . 0.0 109.741 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.43 110.16 14.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.62 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.516 1.127 . . . . 0.0 110.927 -179.189 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.29 123.97 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 126.374 1.869 . . . . 0.0 106.764 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.67 113.89 25.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.02 80.0 1.48 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.28 -175.66 48.84 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 124.221 0.915 . . . . 0.0 114.125 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.85 -3.25 49.21 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 112.809 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -141.33 -25.78 0.71 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 120.799 -1.188 . . . . 0.0 112.361 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 169.42 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.287 1.435 . . . . 0.0 110.002 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -139.51 165.67 26.61 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.723 1.609 . . . . 0.0 108.464 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.75 161.75 33.49 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.08 119.04 8.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.817 0.809 . . . . 0.0 109.161 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 p -133.88 171.13 14.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.159 1.783 . . . . 0.0 109.127 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -157.17 137.42 12.79 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 120.386 -1.446 . . . . 0.0 111.192 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 m -148.52 138.25 22.17 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.445 1.898 . . . . 0.0 107.795 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.41 138.58 31.32 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.132 0.878 . . . . 0.0 108.811 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.98 172.45 12.67 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 111.359 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.09 -43.5 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.113 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.61 161.7 36.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.664 0.785 . . . . 0.0 109.912 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.26 81.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.041 0.937 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.26 -27.66 66.01 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -71.13 -49.44 44.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.05 82.41 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.696 0.798 . . . . 0.0 111.122 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -55.13 -54.77 39.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.772 2.029 . . . . 0.0 110.541 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -71.19 -35.65 71.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -70.51 -56.27 11.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 119.097 0.862 . . . . 0.0 109.997 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -68.59 -10.23 54.63 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.93 -37.66 61.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.959 1.254 . . . . 0.0 109.544 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -51.08 -56.91 10.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 109.27 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -32.08 73.59 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.411 1.484 . . . . 0.0 113.771 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.6 34.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.063 0.847 . . . . 0.0 109.545 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.25 -35.53 80.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.77 -13.21 58.96 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.725 -0.61 . . . . 0.0 112.318 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -111.12 1.91 17.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.517 1.127 . . . . 0.0 111.834 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.72 43.57 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.901 0.773 . . . . 0.0 113.995 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 t -119.75 139.76 46.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 118.703 1.252 . . . . 0.0 110.975 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -157.06 98.28 1.73 Allowed 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.54 -168.63 11.34 Favored Glycine 0 C--N 1.331 0.259 0 O-C-N 121.903 -0.498 . . . . 0.0 112.912 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -77.0 104.78 7.68 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.41 0.684 . . . . 0.0 110.308 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -72.59 116.93 13.65 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.473 1.509 . . . . 0.0 107.869 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -134.56 138.76 44.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.356 1.062 . . . . 0.0 108.276 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -107.54 150.3 27.0 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.719 1.608 . . . . 0.0 113.12 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -131.27 102.28 5.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.858 2.463 . . . . 0.0 105.755 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -25.21 60.18 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.5 -56.2 5.1 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.302 0.641 . . . . 0.0 109.757 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -78.67 -11.96 60.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.786 0.834 . . . . 0.0 110.387 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 58.91 57.48 3.58 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.656 1.982 . . . . 0.0 109.729 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.68 154.74 49.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.563 1.545 . . . . 0.0 110.022 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.558 ' HB3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -135.61 118.07 15.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 102.099 -3.297 . . . . 0.0 102.099 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.9 m -120.38 136.23 54.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.776 0.716 . . . . 0.0 111.102 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.5 t -110.22 101.45 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.0 m -100.18 110.04 22.3 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.947 1.299 . . . . 0.0 110.626 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.562 1.545 . . . . 0.0 112.379 -179.153 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.21 174.9 37.02 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -96.52 104.19 16.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -94.2 115.68 27.98 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -74.42 127.12 32.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.13 128.59 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.19 124.54 68.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.02 113.17 25.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -118.33 79.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.77 173.3 47.14 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -3.09 58.85 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -136.92 -25.19 1.1 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.999 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 170.13 18.22 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.425 1.49 . . . . 0.0 110.332 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -137.53 166.27 24.28 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.823 1.249 . . . . 0.0 110.925 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.78 162.18 31.48 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -151.56 119.06 6.03 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.001 0.901 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.8 p -141.55 -179.51 6.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.628 1.571 . . . . 0.0 109.056 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -158.84 136.14 9.95 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 119.899 -1.75 . . . . 0.0 108.205 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -149.01 139.0 22.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.366 1.466 . . . . 0.0 109.793 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.55 142.05 27.89 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.17 167.58 23.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 122.783 0.433 . . . . 0.0 110.647 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.86 -38.38 81.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.488 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -152.17 166.43 31.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.086 0.857 . . . . 0.0 109.661 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.51 75.06 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 125.133 1.373 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.95 80.24 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.497 0.719 . . . . 0.0 110.817 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -65.52 -48.96 70.72 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.09 77.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.242 0.617 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.45 -54.55 38.42 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.973 1.709 . . . . 0.0 110.249 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.19 -41.67 89.05 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.742 -0.598 . . . . 0.0 112.258 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.09 -56.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.51 -14.52 51.88 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -62.99 -22.28 66.73 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.362 1.437 . . . . 0.0 109.301 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.91 -58.06 9.37 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -55.94 -45.23 78.87 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.773 2.029 . . . . 0.0 111.662 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -54.37 47.64 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.117 0.871 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.43 -40.45 94.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.385 0.674 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.78 -9.82 59.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.058 2.543 . . . . 0.0 113.523 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -111.65 -4.34 14.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.743 0.817 . . . . 0.0 112.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.18 30.33 17.24 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 118.52 -1.156 . . . . 0.0 114.705 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -126.9 147.62 31.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.174 1.487 . . . . 0.0 108.801 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -158.19 98.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.44 -179.12 17.25 Favored Glycine 0 C--O 1.227 -0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 112.787 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.71 105.18 2.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 110.87 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -67.37 107.64 2.49 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.39 1.476 . . . . 0.0 107.825 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -125.42 154.03 42.57 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.52 150.1 51.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.494 1.118 . . . . 0.0 111.687 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -131.94 105.43 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.257 1.823 . . . . 0.0 106.251 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.0 -19.52 62.51 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.24 -52.36 7.82 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 m -78.78 -14.29 59.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.269 0.628 . . . . 0.0 109.992 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 60.15 54.59 4.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.934 2.094 . . . . 0.0 109.615 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.8 p -132.65 154.17 50.37 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.176 1.39 . . . . 0.0 112.096 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.65 109.55 9.8 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 102.818 -3.03 . . . . 0.0 102.818 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 m -113.55 136.18 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -99.71 98.97 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 101.3 -3.593 . . . . 0.0 101.3 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -101.35 99.94 10.36 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.688 1.195 . . . . 0.0 110.566 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.71 174.68 15.85 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.8 m -141.76 104.19 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -94.59 128.94 41.56 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -86.57 103.32 14.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.163 1.785 . . . . 0.0 106.993 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.03 116.54 26.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.36 116.59 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 35' ' ' ALA . 2.6 mp -84.35 113.67 21.32 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 104.702 -2.333 . . . . 0.0 104.702 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.89 80.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.5 159.71 29.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -5.15 39.18 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.064 0.932 . . . . 0.0 113.29 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 m -127.55 -33.44 2.32 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.407 0.683 . . . . 0.0 112.563 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.64 165.3 29.98 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.78 1.232 . . . . 0.0 109.784 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -139.36 165.57 26.86 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.175 0.99 . . . . 0.0 112.425 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.71 164.89 32.85 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.21 119.58 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -136.12 171.83 13.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.966 0.906 . . . . 0.0 109.838 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 p -139.68 136.59 34.4 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.066 0.946 . . . . 0.0 108.622 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -149.32 138.32 21.28 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.27 142.23 27.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.476 0.71 . . . . 0.0 109.111 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.38 168.41 25.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.712 1.205 . . . . 0.0 111.22 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.02 -20.09 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.816 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 152.9 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.872 1.215 . . . . 0.0 112.16 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.54 98.98 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.009 0.924 . . . . 0.0 109.077 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.67 93.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.217 1.007 . . . . 0.0 110.043 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 m -59.17 -48.9 79.92 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.351 -0.843 . . . . 0.0 108.893 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.87 78.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.598 0.359 . . . . 0.0 110.652 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.89 -54.17 50.08 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.663 1.585 . . . . 0.0 111.617 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.14 -48.44 76.26 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.524 0.73 . . . . 0.0 110.803 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.63 -55.18 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 122.758 0.423 . . . . 0.0 109.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.2 -13.75 30.88 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 117.445 -1.264 . . . . 0.0 114.393 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -59.42 -28.57 67.05 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.993 1.724 . . . . 0.0 109.735 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.91 -58.56 8.01 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -42.63 84.38 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.787 1.635 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -58.78 -55.02 40.53 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.93 0.332 . . . . 0.0 110.723 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.99 -29.89 63.38 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.74 -28.44 69.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.761 1.224 . . . . 0.0 109.481 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.69 -2.82 47.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.16 1.384 . . . . 0.0 112.036 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 31.15 25.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.17 -0.956 . . . . 0.0 114.266 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.56 119.08 57.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 119.244 1.522 . . . . 0.0 109.614 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.72 97.06 2.85 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.02 -163.88 11.56 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.74 117.38 20.58 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -84.9 133.13 34.3 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.87 1.268 . . . . 0.0 111.081 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -144.4 142.8 30.58 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -118.02 149.22 41.32 Favored 'General case' 0 C--O 1.228 -0.041 0 C-N-CA 126.636 1.974 . . . . 0.0 111.424 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.54 93.54 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -24.16 67.37 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.513 -0.742 . . . . 0.0 111.92 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.56 70.64 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.585 1.154 . . . . 0.0 112.683 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -119.91 2.63 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.915 2.086 . . . . 0.0 110.243 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mttt 55.89 23.32 6.44 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.088 2.155 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 p -80.89 149.3 29.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.02 107.64 3.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.1 m -118.69 136.19 54.07 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.032 -0.417 . . . . 0.0 110.053 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.77 96.53 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 100.387 -3.931 . . . . 0.0 100.387 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 m -93.29 108.77 20.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.84 0.829 . . . . 0.0 111.362 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.145 0 N-CA-C 104.041 -2.578 . . . . 0.0 104.041 178.414 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.01 175.53 37.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 126.156 1.836 . . . . 0.0 109.838 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -95.35 114.13 25.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.331 1.453 . . . . 0.0 109.388 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -94.81 121.54 36.51 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -76.31 106.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.39 115.62 21.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.98 123.28 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.42 113.36 25.66 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -121.06 79.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.32 176.9 40.64 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-O 122.792 1.218 . . . . 0.0 114.863 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -15.64 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.191 -1.504 . . . . 0.0 112.911 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -134.81 -25.77 1.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 169.79 18.57 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.641 1.176 . . . . 0.0 110.446 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -135.26 166.84 22.19 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.19 1.396 . . . . 0.0 110.784 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.29 160.03 29.86 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -152.3 118.52 5.55 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -141.33 170.44 15.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.431 1.092 . . . . 0.0 109.9 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -142.83 135.63 27.94 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.71 -1.244 . . . . 0.0 109.138 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -150.26 138.42 20.3 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.647 1.179 . . . . 0.0 109.869 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.08 144.72 25.24 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.9 168.3 23.39 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.5 -41.08 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.486 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.56 170.44 21.97 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.196 0.907 . . . . 0.0 109.848 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.14 -39.07 63.24 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.259 1.423 . . . . 0.0 112.437 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.93 66.32 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.773 1.229 . . . . 0.0 111.518 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 m -76.04 -49.21 18.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.51 64.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.578 0.751 . . . . 0.0 111.425 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -55.09 -54.85 37.92 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.491 1.917 . . . . 0.0 111.415 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.68 -29.57 61.27 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.14 -56.32 13.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 120.045 1.293 . . . . 0.0 108.194 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -69.08 -12.08 61.37 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.01 -0.995 . . . . 0.0 113.495 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -51.11 -41.32 59.95 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.726 1.148 . . . . 0.0 109.696 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.73 -58.11 8.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.889 1.276 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -39.91 89.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.674 1.59 . . . . 0.0 112.514 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -55.71 31.42 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.709 0.686 . . . . 0.0 111.423 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.66 -31.71 69.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.998 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.9 -37.95 89.27 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 117.817 0.28 . . . . 0.0 110.605 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -75.68 -13.59 60.33 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.024 0.53 . . . . 0.0 111.32 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.52 23.23 9.01 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.04 1.305 . . . . 0.0 113.936 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 t -126.71 116.97 46.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 CA-C-N 118.826 1.313 . . . . 0.0 111.007 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -146.87 97.53 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.36 -156.51 7.86 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 125.141 1.353 . . . . 0.0 110.215 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.75 111.67 17.41 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -78.19 135.97 37.73 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -146.09 123.88 11.93 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -102.83 149.05 24.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.947 0.899 . . . . 0.0 110.748 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.66 92.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.88 59.15 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.46 -56.15 6.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.272 0.942 . . . . 0.0 108.833 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 p -78.92 -10.58 59.85 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.775 -0.578 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 63.87 42.02 6.31 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 126.585 1.954 . . . . 0.0 108.944 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.7 p -113.9 154.21 27.91 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.822 0.849 . . . . 0.0 110.097 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.75 101.35 4.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 102.174 -3.269 . . . . 0.0 102.174 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -94.22 137.23 33.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 126.841 2.056 . . . . 0.0 111.701 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 t -114.71 101.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.9 m -103.81 113.1 26.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.026 0.931 . . . . 0.0 109.95 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 124.63 1.172 . . . . 0.0 110.304 -179.414 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttm . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.78 125.52 7.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.953 1.263 . . . . 0.0 110.599 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m -94.79 107.56 19.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -93.16 129.55 39.13 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.492 1.139 . . . . 0.0 108.634 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -91.1 111.68 23.25 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.178 -1.828 . . . . 0.0 106.599 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 134.73 34.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.963 0.905 . . . . 0.0 109.381 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.7 122.6 47.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -97.45 119.09 35.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.144 2.177 . . . . 0.0 105.728 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.34 80.1 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -168.06 44.36 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.463 1.03 . . . . 0.0 112.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -18.29 17.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.617 1.167 . . . . 0.0 112.725 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 m -115.41 -33.57 5.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.642 0.777 . . . . 0.0 111.743 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.46 168.62 21.44 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.864 1.666 . . . . 0.0 110.556 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -132.36 163.03 29.6 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.12 1.768 . . . . 0.0 107.432 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.79 170.31 34.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.35 119.53 4.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -138.59 178.54 7.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.951 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -139.48 137.1 35.25 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.567 -1.333 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 m -148.39 137.5 21.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.35 141.56 29.52 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.562 -0.711 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.54 161.23 40.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.722 1.609 . . . . 0.0 111.19 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.28 -39.12 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.36 161.78 37.16 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.418 1.087 . . . . 0.0 109.53 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.84 66.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.991 0.916 . . . . 0.0 111.869 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.79 92.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.404 1.002 . . . . 0.0 111.413 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -70.01 -39.17 76.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.56 -52.91 63.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.73 0.812 . . . . 0.0 109.283 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.93 -53.85 29.26 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 126.786 2.034 . . . . 0.0 110.355 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.8 -52.41 64.09 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.921 1.288 . . . . 0.0 111.703 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.41 -54.0 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 123.044 0.538 . . . . 0.0 110.09 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -54.11 -30.6 49.36 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.633 1.173 . . . . 0.0 112.548 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -52.95 -34.41 55.45 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 111.858 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -69.4 -54.68 13.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.895 0.878 . . . . 0.0 109.661 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.98 -47.81 83.82 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.36 31.35 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.41 -38.41 90.94 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.09 -17.64 64.43 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.927 0.491 . . . . 0.0 111.858 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -100.29 0.16 39.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.871 1.269 . . . . 0.0 110.454 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 23.32 44.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.097 -1.002 . . . . 0.0 113.791 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.95 127.73 75.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 CA-C-N 118.783 1.291 . . . . 0.0 108.152 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -157.17 106.99 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.7 -164.48 10.82 Favored Glycine 0 C--O 1.226 -0.369 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.04 118.06 11.47 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.168 0.587 . . . . 0.0 110.226 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -83.88 99.77 10.56 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 127.042 2.137 . . . . 0.0 111.18 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.94 134.08 54.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.471 0.708 . . . . 0.0 109.199 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -113.17 149.54 33.49 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.486 2.314 . . . . 0.0 111.416 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.32 113.4 8.34 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 126.03 1.732 . . . . 0.0 107.274 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -25.8 60.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.381 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.27 87.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.413 1.006 . . . . 0.0 111.388 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -1.75 25.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.953 0.901 . . . . 0.0 109.593 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 58.8 18.79 6.34 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.357 1.863 . . . . 0.0 110.946 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 p -83.81 136.83 33.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.917 0.887 . . . . 0.0 109.671 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.23 102.12 6.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 101.894 -3.372 . . . . 0.0 101.894 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -104.75 136.49 44.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.421 0.689 . . . . 0.0 112.367 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.24 106.01 19.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 101.558 -3.497 . . . . 0.0 101.558 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.08 108.77 14.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.989 0.813 . . . . 0.0 111.88 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.247 0.951 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 178.124 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 mtt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.88 145.55 45.2 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -104.93 118.47 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -94.27 113.51 25.43 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.01 117.49 19.39 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -88.55 123.56 33.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.4 108.88 22.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.31 112.91 19.72 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 102.421 -3.178 . . . . 0.0 102.421 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -119.51 78.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.05 179.66 48.53 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 114.949 -1.023 . . . . 0.0 113.136 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.06 -8.48 45.75 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.588 1.555 . . . . 0.0 112.419 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -133.58 -31.93 1.17 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.034 0.833 . . . . 0.0 111.628 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 169.38 19.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.14 1.376 . . . . 0.0 109.083 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -140.4 167.81 21.28 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.873 1.269 . . . . 0.0 112.898 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.56 163.1 29.86 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -151.93 117.96 5.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 106.16 -1.792 . . . . 0.0 106.16 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 p -145.31 171.28 14.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.681 1.192 . . . . 0.0 110.971 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -139.53 134.39 32.14 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.294 -0.879 . . . . 0.0 110.907 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 m -149.88 137.52 20.03 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.51 147.69 23.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.919 1.236 . . . . 0.0 108.281 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.64 172.88 12.36 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.689 1.595 . . . . 0.0 108.955 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.2 p -78.64 -25.32 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 118.407 0.548 . . . . 0.0 110.978 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -158.81 168.42 26.86 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.697 0.681 . . . . 0.0 110.298 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.16 95.09 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.184 0.994 . . . . 0.0 110.588 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -44.81 74.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.252 0.621 . . . . 0.0 110.676 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -66.69 -48.94 67.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.79 60.65 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.963 0.505 . . . . 0.0 110.511 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -53.63 -54.09 42.56 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.596 1.558 . . . . 0.0 111.311 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -64.42 -45.42 87.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.37 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.95 -53.08 48.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 110.05 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.498 ' CD2' HD23 ' A' ' 6' ' ' LEU . 14.4 m-85 -60.92 -14.49 22.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.48 -30.03 66.67 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 119.5 1.045 . . . . 0.0 110.388 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -56.6 -58.01 9.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.73 -42.32 92.86 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.813 2.045 . . . . 0.0 111.937 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.27 43.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.876 0.762 . . . . 0.0 109.813 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -45.64 84.08 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.661 0.784 . . . . 0.0 109.38 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.77 -35.3 77.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.681 1.193 . . . . 0.0 112.755 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.43 -5.94 58.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.183 0.593 . . . . 0.0 111.574 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 29.77 36.65 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-O 118.829 -0.984 . . . . 0.0 115.34 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.32 157.51 38.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 118.546 1.173 . . . . 0.0 109.097 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.49 168.71 21.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 129.114 2.966 . . . . 0.0 105.679 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.05 -155.75 27.1 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 107.648 -2.181 . . . . 0.0 107.648 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -98.62 106.95 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -78.57 102.1 7.76 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.666 1.986 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.3 m -125.2 139.31 53.85 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -107.89 150.1 27.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.901 1.281 . . . . 0.0 111.756 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -127.01 101.04 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 127.498 2.319 . . . . 0.0 104.809 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -37.21 86.89 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 118.79 -0.624 . . . . 0.0 111.876 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.52 20.97 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.518 1.054 . . . . 0.0 109.458 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -78.71 -13.96 59.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 60.45 46.2 10.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.272 2.229 . . . . 0.0 109.676 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -120.66 154.01 36.11 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.516 1.526 . . . . 0.0 108.635 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.62 101.77 4.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.769 -3.049 . . . . 0.0 102.769 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.2 m -104.93 136.69 43.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.257 0.623 . . . . 0.0 112.139 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -108.08 98.17 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 104.014 -2.587 . . . . 0.0 104.014 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 m -115.14 145.25 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.222 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.474 0.654 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.32 154.62 41.11 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 124.371 0.986 . . . . 0.0 111.732 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m -135.21 115.07 12.93 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 24' ' ' ALA . 42.9 m-85 -95.53 139.97 31.04 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -81.08 108.97 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.037 0.535 . . . . 0.0 110.314 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.01 100.07 10.23 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.429 2.292 . . . . 0.0 110.139 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.54 128.66 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.207 1.403 . . . . 0.0 108.105 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -98.68 116.03 30.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 127.409 2.283 . . . . 0.0 106.336 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -119.87 82.14 1.84 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.7 159.97 14.58 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.232 0.92 . . . . 0.0 112.329 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.88 -0.31 2.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -179.279 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -141.23 -29.78 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.011 1.278 . . . . 0.0 113.42 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 163.59 35.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 108.243 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -141.0 166.13 25.63 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 125.078 1.351 . . . . 0.0 108.935 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.13 161.79 33.2 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.35 119.14 3.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.9 p -143.1 169.5 17.47 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.758 1.223 . . . . 0.0 109.065 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 p -136.08 134.08 38.02 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.322 1.419 . . . . 0.0 110.986 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -148.75 139.19 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.682 1.993 . . . . 0.0 108.298 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.54 156.19 16.91 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.36 0.982 . . . . 0.0 110.36 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.13 175.63 13.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.678 2.391 . . . . 0.0 108.479 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.19 -27.06 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 120.158 1.345 . . . . 0.0 111.784 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.16 163.51 35.99 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.097 0.559 . . . . 0.0 110.601 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . . . -56.74 -36.82 70.18 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.025 1.33 . . . . 0.0 110.836 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.65 93.69 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.019 0.927 . . . . 0.0 110.95 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 m -68.15 -49.12 63.04 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.04 -47.97 74.07 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.887 0.475 . . . . 0.0 110.475 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -51.66 -51.27 57.17 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.661 1.984 . . . . 0.0 110.823 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -74.43 -35.19 63.37 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.606 -0.684 . . . . 0.0 112.725 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.22 -54.71 21.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.82 -15.2 61.45 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.223 -1.37 . . . . 0.0 113.019 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -51.81 -41.7 61.93 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.73 1.604 . . . . 0.0 113.052 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -58.35 -56.22 24.95 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.55 -52.99 63.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.693 1.597 . . . . 0.0 112.102 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.13 -54.3 46.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.488 0.715 . . . . 0.0 112.009 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.21 -36.84 85.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.446 0.466 . . . . 0.0 110.899 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.31 -35.2 80.27 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.167 0.587 . . . . 0.0 110.54 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.16 -11.22 60.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.971 0.909 . . . . 0.0 110.268 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.87 57.56 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-O 118.576 -1.125 . . . . 0.0 112.819 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -115.59 137.04 50.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 119.254 1.527 . . . . 0.0 108.221 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -151.71 167.3 28.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.315 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -156.86 28.98 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 124.67 30.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.547 1.939 . . . . 0.0 106.458 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CH2' HG22 ' A' ' 55' ' ' VAL . 78.7 m95 -101.74 100.37 10.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 m -135.74 150.35 49.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.658 1.983 . . . . 0.0 108.12 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -122.03 150.03 42.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.422 1.489 . . . . 0.0 112.063 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.11 101.02 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 128.307 2.643 . . . . 0.0 106.482 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -38.54 86.26 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.65 53.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.277 0.944 . . . . 0.0 111.408 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.15 -14.47 59.09 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.7 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 61.43 53.38 3.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.489 2.315 . . . . 0.0 107.917 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 p -131.77 154.91 48.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.339 1.856 . . . . 0.0 111.499 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.53 102.01 3.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 103.263 -2.866 . . . . 0.0 103.263 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -110.11 126.32 53.92 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.926 1.239 . . . . 0.0 110.214 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG22 ' CH2' ' A' ' 44' ' ' TRP . 16.8 t -81.4 101.02 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -114.7 111.96 22.1 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.255 1.388 0 CA-C-O 118.135 -0.935 . . . . 0.0 109.149 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtm . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.13 146.71 30.94 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -95.37 122.02 37.64 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.259 1.024 . . . . 0.0 109.597 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.18 127.77 43.46 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -84.7 117.51 23.84 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.79 114.62 27.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.52 137.05 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.07 121.21 44.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.26 80.34 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.02 160.46 16.85 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.52 0.581 . . . . 0.0 111.973 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -9.89 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.093 1.757 . . . . 0.0 115.254 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -136.72 -23.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 119.87 1.213 . . . . 0.0 113.787 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 158.65 43.98 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.016 0.926 . . . . 0.0 109.467 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -134.31 165.86 24.15 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.456 1.102 . . . . 0.0 109.963 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.94 160.26 28.96 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -148.85 118.98 7.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -144.11 170.18 16.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.351 1.061 . . . . 0.0 108.857 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.35 136.9 28.34 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.9 -1.125 . . . . 0.0 111.221 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.1 m -148.56 138.94 22.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.913 1.285 . . . . 0.0 108.537 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.76 142.91 28.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.66 0.664 . . . . 0.0 111.202 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.19 166.12 34.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.342 0.657 . . . . 0.0 111.768 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.59 -32.47 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.121 0.968 . . . . 0.0 109.99 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -154.23 166.26 33.71 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.93 69.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.895 -0.574 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -40.5 65.37 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.614 1.166 . . . . 0.0 112.425 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 m -70.85 -46.96 61.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.4 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.083 0.553 . . . . 0.0 112.491 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.53 -55.58 24.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.546 1.938 . . . . 0.0 110.53 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -75.48 -35.99 60.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -55.43 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 120.806 1.639 . . . . 0.0 110.52 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -71.92 -8.59 55.34 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -51.26 -42.89 61.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.571 1.532 . . . . 0.0 113.032 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -55.71 -58.91 5.85 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 124.8 1.24 . . . . 0.0 108.787 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -56.37 -45.73 80.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.871 1.268 . . . . 0.0 112.428 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.539 0.609 . . . . 0.0 111.841 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.64 -29.96 63.9 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.693 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.71 -29.75 70.32 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.385 0.674 . . . . 0.0 109.716 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.82 -12.93 46.5 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.009 1.324 . . . . 0.0 110.69 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.32 18.48 16.71 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.269 -1.295 . . . . 0.0 115.676 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.72 129.26 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 119.902 1.851 . . . . 0.0 109.66 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -143.01 127.11 17.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.41 -156.82 10.64 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.85 106.35 14.61 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.205 1.802 . . . . 0.0 109.515 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -84.02 101.67 11.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.104 1.362 . . . . 0.0 108.746 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 m -115.59 120.56 39.83 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.987 0.812 . . . . 0.0 109.661 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -96.88 145.64 25.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.201 1.401 . . . . 0.0 109.33 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.46 109.59 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -30.97 63.67 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -46.59 71.28 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.004 1.274 . . . . 0.0 109.212 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 m -78.66 -14.49 59.28 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 tttp 51.53 50.75 18.16 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.515 2.726 . . . . 0.0 111.098 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -132.59 154.18 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.459 1.504 . . . . 0.0 109.9 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.44 102.57 4.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -115.16 136.33 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.421 -0.799 . . . . 0.0 112.805 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -95.3 103.12 14.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -112.61 127.35 56.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 126.59 1.956 . . . . 0.0 105.987 179.731 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.166 0.508 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.9 113.7 3.02 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 126.513 2.006 . . . . 0.0 110.502 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m -94.74 109.42 21.38 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -95.37 115.0 26.83 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -78.43 111.01 14.01 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.6 117.93 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.05 119.26 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.58 120.5 30.93 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -135.07 82.69 1.97 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.07 0.948 . . . . 0.0 111.163 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 160.96 18.89 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.821 0.724 . . . . 0.0 111.663 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -0.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.083 3.353 . . . . 0.0 119.284 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.8 m -141.84 -35.47 0.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 122.738 2.517 . . . . 0.0 113.515 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 169.42 19.2 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.96 0.8 . . . . 0.0 109.558 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -140.67 167.12 22.92 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.963 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.24 152.37 24.27 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -143.91 117.58 9.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -143.25 163.37 33.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.56 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.41 135.66 44.76 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.341 -0.849 . . . . 0.0 109.298 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 m -149.24 138.71 21.64 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 126.879 2.072 . . . . 0.0 105.989 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.37 139.48 37.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.316 0.962 . . . . 0.0 110.086 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 172.11 13.32 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.508 1.123 . . . . 0.0 110.81 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.36 -19.88 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.44 0.696 . . . . 0.0 110.983 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 163.17 40.57 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.707 0.685 . . . . 0.0 109.705 -179.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.71 97.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.522 0.729 . . . . 0.0 111.39 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.46 77.34 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.986 0.914 . . . . 0.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.5 m -64.7 -30.65 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.133 -0.98 . . . . 0.0 110.067 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.9 57.23 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.258 -0.902 . . . . 0.0 109.516 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.63 -54.26 46.33 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 127.663 2.385 . . . . 0.0 111.296 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -64.55 -43.22 94.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.792 1.237 . . . . 0.0 113.515 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.93 -55.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.96 -12.73 57.02 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.91 -35.17 68.69 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.927 1.239 . . . . 0.0 110.317 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -56.57 -55.53 32.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -39.66 94.86 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 126.37 1.868 . . . . 0.0 111.478 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.25 -54.64 44.54 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.194 0.906 . . . . 0.0 111.165 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -69.07 -36.38 77.56 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.808 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.2 -19.6 63.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.27 -11.89 23.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.179 0.992 . . . . 0.0 110.619 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.7 31.82 9.09 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 120.852 -1.155 . . . . 0.0 114.372 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.57 145.26 34.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.518 1.152 . . . . 0.0 108.114 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -148.06 166.92 26.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.524 1.929 . . . . 0.0 105.879 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.71 -158.49 29.09 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 119.4 1.0 . . . . 0.0 111.946 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -96.88 105.9 18.12 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.425 1.89 . . . . 0.0 109.182 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -77.76 113.94 16.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.4 1.08 . . . . 0.0 108.425 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 m -135.4 121.35 19.88 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -93.67 149.34 21.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.107 0.963 . . . . 0.0 108.765 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -124.23 106.48 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.096 1.759 . . . . 0.0 106.342 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -17.64 64.7 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.56 5.64 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.404 1.002 . . . . 0.0 110.677 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -78.6 -13.17 59.96 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 52.84 41.25 31.75 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.284 2.234 . . . . 0.0 111.636 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.4 p -117.34 154.23 31.63 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.635 1.574 . . . . 0.0 106.865 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.41 101.81 4.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.75 -3.056 . . . . 0.0 102.75 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 136.16 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 95.03 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 1 N-CA-C 97.102 -5.147 . . . . 0.0 97.102 176.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 m -113.29 145.83 40.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 108.604 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.346 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mtt . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.77 168.39 36.26 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.076 -1.609 . . . . 0.0 109.076 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m -128.01 129.96 47.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 118.041 0.92 . . . . 0.0 110.918 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -94.56 120.63 35.09 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -74.38 105.63 5.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -87.88 109.5 19.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.858 0.863 . . . . 0.0 110.237 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.65 143.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.235 1.414 . . . . 0.0 107.292 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 35' ' ' ALA . 6.4 mp -112.48 129.62 56.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.54 80.08 1.83 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.89 172.65 54.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 124.706 1.146 . . . . 0.0 111.717 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -7.83 55.99 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.55 -19.76 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 160.61 42.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -125.96 166.93 16.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.216 1.407 . . . . 0.0 110.178 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.35 161.36 30.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.11 122.34 9.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -142.79 165.99 25.86 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.239 1.416 . . . . 0.0 110.885 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -149.02 135.38 19.33 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.455 -0.778 . . . . 0.0 110.307 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.5 m -148.66 138.29 22.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.412 1.885 . . . . 0.0 106.313 177.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.41 121.27 35.77 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 171.79 9.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.253 1.421 . . . . 0.0 109.22 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.33 -37.79 32.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.058 -0.496 . . . . 0.0 109.742 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.38 166.0 27.65 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.36 0.664 . . . . 0.0 110.229 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.87 -43.49 77.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.228 1.411 . . . . 0.0 111.772 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 118.337 0.517 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.5 m -66.13 -49.17 68.38 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.7 84.56 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.821 0.448 . . . . 0.0 110.741 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -58.75 -54.41 47.44 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.503 1.521 . . . . 0.0 109.694 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -61.92 -35.87 79.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.18 -56.91 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.468 1.031 . . . . 0.0 111.43 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -65.79 -14.66 61.8 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -57.11 -31.19 65.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.434 1.47 . . . . 0.0 110.635 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.32 -56.51 20.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.115 1.366 . . . . 0.0 107.863 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.83 -44.88 90.99 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 110.724 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -59.8 -55.28 36.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.645 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -70.75 -32.12 69.18 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.622 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.05 -31.74 72.95 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.055 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -93.23 -0.27 56.87 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.675 0.79 . . . . 0.0 112.605 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.81 32.68 12.4 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.073 -1.404 . . . . 0.0 115.814 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.7 t -120.79 133.03 68.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 119.976 1.888 . . . . 0.0 109.425 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -148.03 98.54 2.95 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.317 1.047 . . . . 0.0 109.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.43 -172.69 18.58 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 123.519 0.581 . . . . 0.0 112.255 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.53 125.38 26.53 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.319 1.047 . . . . 0.0 111.108 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -88.4 99.92 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.918 1.687 . . . . 0.0 108.838 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.7 m -120.23 122.89 41.91 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.15 0.58 . . . . 0.0 110.091 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -99.14 149.63 22.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.743 2.017 . . . . 0.0 111.983 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -137.35 92.0 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -65.95 -19.8 65.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.213 1.405 . . . . 0.0 113.365 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.6 -50.81 9.48 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -78.46 -14.21 59.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 61.55 33.06 18.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 127.846 2.458 . . . . 0.0 110.936 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 p -117.57 154.34 31.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.23 122.82 12.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.101 -3.296 . . . . 0.0 102.101 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.6 135.7 54.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.196 0.453 . . . . 0.0 111.549 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.34 95.8 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 100.849 -3.76 . . . . 0.0 100.849 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 m -105.25 124.54 49.72 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 109.238 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.249 1.03 0 C-N-CA 126.447 1.899 . . . . 0.0 110.687 -178.585 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.67 174.91 20.25 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 124.786 1.184 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.8 m -141.97 146.01 35.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.059 1.344 . . . . 0.0 108.827 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -123.32 125.61 45.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.725 1.21 . . . . 0.0 107.855 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -86.73 111.9 21.15 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 107.16 17.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.511 1.124 . . . . 0.0 109.348 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.33 123.85 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.61 119.49 39.58 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.15 106.37 9.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.656 1.182 . . . . 0.0 108.067 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.44 178.4 17.69 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.282 0.944 . . . . 0.0 113.54 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -6.67 56.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.011 0.924 . . . . 0.0 112.791 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -137.35 -27.16 0.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 170.42 17.17 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.552 1.141 . . . . 0.0 111.512 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -141.04 166.36 25.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.857 1.663 . . . . 0.0 109.765 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.39 161.05 31.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.42 118.85 8.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 p -138.07 175.21 9.78 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.307 1.043 . . . . 0.0 110.672 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.9 p -134.53 143.27 47.33 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.906 -1.121 . . . . 0.0 111.143 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.483 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -146.68 138.97 24.87 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -116.16 110.45 18.84 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.47 165.43 26.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.366 1.466 . . . . 0.0 109.856 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.83 -26.47 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.117 0.967 . . . . 0.0 112.306 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.03 157.76 44.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.912 0.778 . . . . 0.0 111.772 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.5 -37.8 82.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.529 1.532 . . . . 0.0 109.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.12 75.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.505 0.722 . . . . 0.0 110.84 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -65.37 -45.76 82.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.53 0.604 . . . . 0.0 109.468 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -49.76 72.24 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.91 -55.09 37.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.501 1.52 . . . . 0.0 111.903 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.92 -48.26 82.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.874 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.77 -52.26 41.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.187 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CE2' ' HB ' ' A' ' 19' ' ' THR . 1.9 m-85 -65.46 -16.22 63.42 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-O 117.713 -1.137 . . . . 0.0 113.041 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.81 -33.43 61.56 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 120.411 1.46 . . . . 0.0 111.069 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.51 -58.63 7.47 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -44.27 96.89 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 125.591 1.557 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.91 -53.68 55.51 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.597 0.759 . . . . 0.0 110.674 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.06 -42.54 99.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.957 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.86 -32.71 74.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.468 1.507 . . . . 0.0 111.564 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -78.86 -19.34 52.22 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.436 1.095 . . . . 0.0 109.765 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.51 21.73 9.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.98 1.276 . . . . 0.0 115.278 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.08 131.59 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 119.632 1.716 . . . . 0.0 108.964 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -151.97 98.44 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.6 -156.96 7.45 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 123.641 0.639 . . . . 0.0 112.792 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -69.96 105.85 2.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.509 1.524 . . . . 0.0 112.459 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -84.62 104.37 14.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.709 1.603 . . . . 0.0 109.771 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -120.64 124.96 46.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.351 1.432 . . . . 0.0 110.787 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -91.39 148.76 22.09 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.492 1.117 . . . . 0.0 110.071 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -135.31 92.4 2.85 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.529 1.932 . . . . 0.0 106.583 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -21.25 65.64 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.619 -0.676 . . . . 0.0 112.111 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.39 -49.41 42.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 119.031 0.832 . . . . 0.0 109.411 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -89.4 -10.57 46.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.32 0.509 . . . . 0.0 110.872 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.36 54.36 3.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.15 2.18 . . . . 0.0 109.315 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 p -131.22 154.69 48.16 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 127.053 2.141 . . . . 0.0 107.727 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.44 102.79 4.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -105.16 136.37 44.79 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.91 96.66 4.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 101.692 -3.448 . . . . 0.0 101.692 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -97.04 88.49 4.52 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.252 1.231 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.218 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -95.34 128.3 42.07 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -92.02 114.88 27.54 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.387 1.875 . . . . 0.0 106.824 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.81 122.71 36.57 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.933 0.893 . . . . 0.0 109.658 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.67 112.64 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -82.37 113.62 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -117.99 79.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.18 171.23 25.46 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-O 122.799 1.222 . . . . 0.0 113.433 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 2.57 42.56 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.646 1.579 . . . . 0.0 112.419 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -141.3 -35.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.456 0.702 . . . . 0.0 112.426 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.8 166.96 25.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.516 1.126 . . . . 0.0 109.664 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -138.43 166.54 23.99 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.307 1.443 . . . . 0.0 110.71 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.04 158.52 28.92 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -143.41 118.92 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 p -139.94 170.14 16.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.885 1.274 . . . . 0.0 109.411 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -141.34 135.28 30.35 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.014 -1.054 . . . . 0.0 110.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 m -149.49 137.92 20.79 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.32 1.048 . . . . 0.0 108.721 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.27 146.66 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.097 0.862 . . . . 0.0 109.633 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.76 171.6 20.01 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.762 1.625 . . . . 0.0 109.333 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -70.11 -28.86 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.485 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.87 166.88 31.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.578 1.081 . . . . 0.0 113.604 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.73 -45.45 74.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.964 2.105 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.91 65.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.353 0.524 . . . . 0.0 112.31 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.2 m -75.78 -38.47 58.26 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.098 -1.001 . . . . 0.0 108.998 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.57 65.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.04 -54.08 50.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -54.09 -44.59 71.35 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.981 -0.449 . . . . 0.0 112.102 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.83 -56.24 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.388 0.275 . . . . 0.0 110.411 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.27 -22.65 65.04 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -57.0 -30.97 64.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.446 1.475 . . . . 0.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -56.6 -57.74 11.08 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -42.75 96.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 127.317 2.247 . . . . 0.0 112.031 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.66 -54.95 40.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.914 0.779 . . . . 0.0 111.236 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.99 -29.91 67.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.644 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.47 -36.08 80.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -77.99 -21.52 50.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.33 1.052 . . . . 0.0 112.396 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.83 27.52 5.39 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.955 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 t -125.55 126.34 70.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.745 1.273 . . . . 0.0 108.092 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.17 98.82 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.28 -157.0 7.02 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-O 121.586 0.548 . . . . 0.0 113.838 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.65 106.51 13.65 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.607 2.363 . . . . 0.0 112.198 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -75.22 110.29 9.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.765 2.026 . . . . 0.0 108.572 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -129.14 128.46 43.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.083 0.953 . . . . 0.0 109.525 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -111.07 150.47 29.31 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.398 1.479 . . . . 0.0 113.962 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -134.03 106.59 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.21 -25.72 62.63 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 120.85 -1.156 . . . . 0.0 112.661 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.53 97.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.178 0.899 . . . . 0.0 110.494 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -99.29 -8.8 24.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.458 1.503 . . . . 0.0 110.465 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 59.56 29.75 19.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.96 2.104 . . . . 0.0 111.178 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -96.88 153.69 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.487 1.115 . . . . 0.0 108.484 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.42 101.95 3.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.6 m -101.54 136.65 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.318 1.047 . . . . 0.0 112.063 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.9 t -108.09 100.33 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.6 m -97.18 121.85 39.54 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.373 0.669 . . . . 0.0 110.044 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.065 1.346 . . . . 0.0 108.904 179.728 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.5 113.42 25.26 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -74.35 126.61 31.06 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.97 119.88 38.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.74 115.71 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.48 116.97 29.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -127.76 117.02 21.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.39 1.076 . . . . 0.0 108.163 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.77 -172.26 18.39 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 119.225 0.92 . . . . 0.0 114.52 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -11.97 59.11 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 116.496 2.035 . . . . 0.0 116.496 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 m -126.18 -34.61 2.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.515 1.507 . . . . 0.0 113.067 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 170.26 17.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.114 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -131.87 164.98 24.89 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 125.938 1.695 . . . . 0.0 108.383 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.58 159.9 28.68 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -154.91 121.19 5.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -148.56 168.58 22.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.322 1.449 . . . . 0.0 109.262 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -138.39 135.31 35.17 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 120.755 -1.215 . . . . 0.0 110.22 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -149.68 138.96 21.35 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.529 1.132 . . . . 0.0 109.392 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.44 151.24 19.74 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.93 179.13 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.898 1.279 . . . . 0.0 108.123 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -97.78 -19.6 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.326 0.65 . . . . 0.0 110.043 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.68 150.36 31.0 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.27 87.81 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.113 0.565 . . . . 0.0 110.198 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.84 71.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.749 0.82 . . . . 0.0 111.401 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -70.84 -44.31 66.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.86 97.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.936 0.494 . . . . 0.0 110.711 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.75 -52.63 38.8 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.555 2.342 . . . . 0.0 110.284 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -71.01 -36.51 72.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.85 -56.34 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.323 0.965 . . . . 0.0 109.415 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.24 -13.09 57.5 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -57.08 -38.09 72.83 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.554 1.07 . . . . 0.0 109.55 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -53.53 -56.37 17.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.049 0.94 . . . . 0.0 108.983 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.45 -44.7 89.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.98 -54.31 48.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.965 0.802 . . . . 0.0 110.317 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.44 -50.53 73.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.46 0.704 . . . . 0.0 111.015 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -32.31 72.01 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.834 0.854 . . . . 0.0 113.164 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -83.28 -5.84 59.27 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.76 33.08 10.27 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-O 118.344 -1.254 . . . . 0.0 113.527 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.66 148.09 31.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 119.348 1.574 . . . . 0.0 110.332 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -157.86 102.66 1.84 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.13 -173.06 16.03 Favored Glycine 0 C--N 1.334 0.461 0 O-C-N 122.252 -0.28 . . . . 0.0 112.462 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.16 112.71 15.4 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 127.951 2.501 . . . . 0.0 110.644 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -84.3 113.7 21.32 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.508 1.523 . . . . 0.0 111.116 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -125.36 120.47 31.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 119.293 0.951 . . . . 0.0 108.751 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -89.21 148.69 23.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -141.34 81.73 1.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -23.58 67.15 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -50.47 46.11 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -78.38 -14.16 59.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.087 0.403 . . . . 0.0 110.049 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 68.13 42.29 1.8 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.159 2.584 . . . . 0.0 111.05 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.5 p -131.96 153.91 49.83 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.92 1.288 . . . . 0.0 111.468 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.82 101.64 4.0 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 m -103.71 137.24 42.02 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.533 1.133 . . . . 0.0 112.812 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.95 110.8 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 101.553 -3.499 . . . . 0.0 101.553 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.9 m -103.37 108.62 19.93 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.523 1.129 . . . . 0.0 109.913 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.251 1.178 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.66 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.08 136.42 35.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -94.99 106.66 18.67 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 122.57 33.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.892 0.877 . . . . 0.0 108.759 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.92 121.64 64.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' A' ' 35' ' ' ALA . 6.2 mp -102.08 113.56 26.92 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.82 79.25 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.46 -179.31 52.67 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 124.428 1.013 . . . . 0.0 113.043 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -8.2 56.23 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -140.95 -21.93 0.78 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.292 0.637 . . . . 0.0 112.373 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.74 169.96 17.97 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 111.23 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -134.65 165.61 24.85 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.681 1.193 . . . . 0.0 112.734 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.1 159.93 30.04 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.55 118.67 5.5 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 p -142.55 165.86 26.24 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.099 0.96 . . . . 0.0 110.782 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -133.96 136.68 44.33 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -146.34 138.08 24.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.928 1.291 . . . . 0.0 107.96 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.29 141.34 30.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.6 161.32 39.43 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.186 0.594 . . . . 0.0 110.285 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.66 -44.65 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.539 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -146.71 165.6 29.12 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.279 1.432 . . . . 0.0 107.824 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -32.93 68.79 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.468 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.19 82.78 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.953 1.251 . . . . 0.0 110.288 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 m -63.33 -36.33 83.33 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.17 5.13 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -51.85 -53.99 34.19 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.192 2.597 . . . . 0.0 112.998 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.03 -58.04 9.6 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.736 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.44 -43.39 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.526 0.731 . . . . 0.0 109.831 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -57.65 -30.92 65.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.09 0.859 . . . . 0.0 112.419 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -61.66 -31.03 71.12 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.508 1.049 . . . . 0.0 111.049 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.94 -53.24 60.24 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.06 -50.91 64.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.164 0.986 . . . . 0.0 111.345 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -54.94 -54.56 41.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.54 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -67.36 -29.45 68.99 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.112 0.415 . . . . 0.0 111.946 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.6 -22.35 62.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.106 0.866 . . . . 0.0 110.135 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -100.53 2.27 41.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.33 1.452 . . . . 0.0 111.728 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.99 26.79 52.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.06 -1.025 . . . . 0.0 114.685 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.1 t -120.84 120.97 63.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 118.695 1.247 . . . . 0.0 107.873 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -155.43 98.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.65 -156.08 8.29 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 125.43 1.49 . . . . 0.0 110.59 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.6 126.52 30.85 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -96.16 113.39 24.99 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.609 1.163 . . . . 0.0 110.852 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -132.97 141.46 48.32 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -122.24 150.45 42.28 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 126.614 1.966 . . . . 0.0 111.535 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -134.26 124.62 26.2 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -33.6 64.41 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.022 -1.049 . . . . 0.0 113.126 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.2 81.19 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.685 1.129 . . . . 0.0 111.158 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -94.99 -13.75 24.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.623 1.169 . . . . 0.0 111.615 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 60.15 26.98 16.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.108 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.4 p -91.25 154.84 18.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.257 1.423 . . . . 0.0 109.998 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.52 102.5 4.34 Favored 'General case' 0 N--CA 1.44 -0.953 1 N-CA-C 99.355 -4.313 . . . . 0.0 99.355 177.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -114.6 135.61 53.94 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.0 t -110.13 105.66 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 m -107.75 117.54 34.37 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 125.822 1.649 . . . . 0.0 108.426 -179.385 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -94.42 109.92 21.74 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -74.12 118.08 16.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.81 126.33 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 124.819 1.247 . . . . 0.0 110.624 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.74 128.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -106.34 119.69 39.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -127.54 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.07 -178.78 47.33 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.772 0.701 . . . . 0.0 114.016 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -12.99 56.41 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 118.663 -0.684 . . . . 0.0 112.382 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.41 -17.48 1.53 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.862 0.756 . . . . 0.0 112.865 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 167.84 23.51 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.182 0.993 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -134.81 165.89 24.25 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.142 1.377 . . . . 0.0 108.319 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.47 163.45 32.53 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -149.65 119.54 7.12 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -140.96 176.01 9.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.615 1.566 . . . . 0.0 108.538 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 t -158.92 136.46 10.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.636 -1.915 . . . . 0.0 110.035 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -149.38 140.66 23.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.413 2.285 . . . . 0.0 108.891 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.62 149.42 24.31 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 109.841 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.28 42.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.176 1.391 . . . . 0.0 111.467 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.05 -43.76 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 122.751 0.42 . . . . 0.0 109.911 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.52 165.17 27.55 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.227 1.411 . . . . 0.0 109.335 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.4 91.06 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.08 65.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.422 1.01 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -68.57 -48.88 63.08 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.92 94.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 112.502 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -53.74 -54.26 40.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 127.462 2.305 . . . . 0.0 110.346 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -57.22 -49.64 75.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.76 -56.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 124.3 1.04 . . . . 0.0 111.06 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.46 -12.08 61.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -56.05 -33.51 65.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.337 1.426 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.98 -58.08 9.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.198 1.399 . . . . 0.0 109.526 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -39.22 91.89 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.573 1.149 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -52.67 64.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.709 0.686 . . . . 0.0 110.018 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.2 -45.52 91.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -36.28 77.19 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.666 0.786 . . . . 0.0 112.468 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -81.95 -5.28 58.18 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.578 0.751 . . . . 0.0 111.639 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 32.69 10.88 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 117.667 -1.63 . . . . 0.0 116.262 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.7 t -125.48 146.31 31.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 120.736 2.268 . . . . 0.0 110.469 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.04 98.77 1.91 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.425 -1.695 . . . . 0.0 106.425 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.24 -176.29 17.14 Favored Glycine 0 C--N 1.331 0.258 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.82 105.55 2.82 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.962 0.505 . . . . 0.0 110.158 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -68.2 104.21 1.76 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.985 1.314 . . . . 0.0 108.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -120.16 119.72 34.09 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -94.56 150.51 20.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.215 1.406 . . . . 0.0 110.631 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -137.46 83.19 1.97 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -21.16 66.62 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.323 -0.861 . . . . 0.0 110.945 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -59.29 4.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.15 0.886 . . . . 0.0 109.486 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -83.0 2.69 33.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.86 0.864 . . . . 0.0 111.154 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 54.66 50.76 15.2 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.947 1.699 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -131.9 154.65 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.804 1.642 . . . . 0.0 109.045 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -148.01 102.43 3.39 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 m -106.57 136.36 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -106.65 102.8 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 m -105.48 109.55 21.56 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.396 1.079 . . . . 0.0 109.5 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.402 1.481 . . . . 0.0 112.042 -179.252 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 m . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -143.71 96.18 2.86 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -74.05 131.2 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.324 1.049 . . . . 0.0 108.439 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 134.64 33.63 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.499 0.719 . . . . 0.0 110.07 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.64 103.74 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 105.148 -2.168 . . . . 0.0 105.148 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -83.64 117.86 23.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.46 78.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.19 179.78 49.61 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 124.527 1.061 . . . . 0.0 112.887 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -2.27 58.31 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.898 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -139.13 -25.98 0.85 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.632 0.651 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.23 168.91 20.53 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.211 1.404 . . . . 0.0 111.291 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -137.28 166.31 24.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.306 1.442 . . . . 0.0 111.028 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.42 157.34 28.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -143.77 118.77 10.02 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.054 0.942 . . . . 0.0 109.138 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -138.71 172.38 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.762 1.625 . . . . 0.0 108.542 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -143.69 134.49 25.22 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.837 -1.164 . . . . 0.0 109.738 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m -150.44 138.42 20.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.273 1.829 . . . . 0.0 110.952 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.3 156.59 16.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.239 1.016 . . . . 0.0 109.554 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.4 166.34 31.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.503 1.521 . . . . 0.0 109.278 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -78.74 -27.61 13.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 121.213 -0.929 . . . . 0.0 111.29 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.32 154.77 42.05 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.212 1.005 . . . . 0.0 110.226 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.85 72.43 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.735 0.647 . . . . 0.0 109.654 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.8 75.49 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.223 -0.923 . . . . 0.0 111.647 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -69.89 -43.8 71.04 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.78 83.25 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.68 -46.15 84.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.665 1.186 . . . . 0.0 110.43 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.52 -45.94 92.1 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.232 -0.917 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.76 -56.72 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.621 0.768 . . . . 0.0 111.864 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -60.93 -30.32 70.14 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.02 -29.48 70.31 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.504 1.047 . . . . 0.0 112.216 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.15 -57.69 8.82 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.88 -48.08 73.45 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.229 1.811 . . . . 0.0 112.366 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.32 59.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.626 0.648 . . . . 0.0 109.923 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.62 -42.85 97.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.25 -17.53 64.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.118 0.567 . . . . 0.0 112.143 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -99.58 -4.66 30.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.836 1.654 . . . . 0.0 111.704 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.45 28.15 25.49 Favored Glycine 0 CA--C 1.526 0.755 0 O-C-N 120.754 -1.216 . . . . 0.0 113.757 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.76 145.08 34.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -167.61 99.07 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 -160.73 9.83 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-O 121.852 0.696 . . . . 0.0 112.258 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.18 105.53 9.47 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.24 1.016 . . . . 0.0 108.84 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -72.99 106.98 5.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 126.688 1.995 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -125.09 139.54 53.69 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -130.84 149.47 52.46 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.654 1.181 . . . . 0.0 111.201 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -141.66 110.08 5.99 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -20.12 63.43 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.75 -54.79 10.41 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.376 0.989 . . . . 0.0 108.859 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 m -78.6 -13.15 59.97 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.0 2.12 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mttp 59.61 53.63 4.92 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.069 1.748 . . . . 0.0 108.511 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 p -131.99 153.95 49.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.995 0.918 . . . . 0.0 110.887 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.72 102.71 4.09 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 178.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.4 m -107.2 136.48 46.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.991 0.916 . . . . 0.0 110.862 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 t -110.96 96.4 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 102.344 -3.206 . . . . 0.0 102.344 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -100.84 134.21 44.16 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.809 0.444 . . . . 0.0 111.383 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 C--O 1.246 0.879 0 C-N-CA 127.593 2.357 . . . . 0.0 107.229 179.028 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.92 100.39 5.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -74.55 135.26 42.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -110.28 126.29 54.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.682 0.674 . . . . 0.0 110.21 -178.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.61 107.26 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -85.99 113.57 22.19 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.38 79.9 1.79 Allowed 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.2 174.43 43.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 114.768 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -10.32 59.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.709 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -134.67 -24.65 1.51 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.967 0.803 . . . . 0.0 112.182 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.39 26.84 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.628 1.104 . . . . 0.0 110.921 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -134.81 166.61 22.59 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 125.363 1.465 . . . . 0.0 111.547 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.44 163.05 34.31 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -146.26 119.07 8.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -142.16 -179.55 6.31 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.908 1.683 . . . . 0.0 107.93 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -158.72 137.52 11.16 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.996 -1.69 . . . . 0.0 108.292 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -148.25 139.06 23.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.774 1.63 . . . . 0.0 107.454 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -91.53 145.89 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.09 149.52 24.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.296 1.039 . . . . 0.0 109.021 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.79 -24.72 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.501 1.12 . . . . 0.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -151.84 157.94 42.59 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 119.342 0.974 . . . . 0.0 111.095 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.95 81.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.832 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.49 88.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.073 0.851 . . . . 0.0 110.702 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.1 m -69.1 -46.87 66.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.47 73.09 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.12 -55.13 38.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.147 1.779 . . . . 0.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.28 -36.84 85.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.638 1.108 . . . . 0.0 112.39 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.4 -55.98 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' A' ' 6' ' ' LEU . 16.9 m-85 -61.48 -23.75 66.11 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -56.47 -29.62 61.94 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.438 0.563 . . . . 0.0 110.892 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.98 -58.61 6.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.962 0.505 . . . . 0.0 110.074 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.24 -32.95 70.44 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.042 0.537 . . . . 0.0 112.055 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.01 16.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 118.881 0.764 . . . . 0.0 110.08 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -67.37 -30.58 70.41 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.31 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.2 -25.92 64.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.689 0.795 . . . . 0.0 112.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -101.78 -14.79 17.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.818 0.847 . . . . 0.0 113.265 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.96 31.17 4.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.59 139.81 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 118.238 1.019 . . . . 0.0 110.085 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -167.87 98.41 0.46 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.126 2.171 . . . . 0.0 105.896 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.46 -165.68 10.62 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 126.33 1.919 . . . . 0.0 109.219 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.33 125.74 27.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' HG22 ' A' ' 55' ' ' VAL . 75.5 m95 -98.57 123.13 42.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.089 1.356 . . . . 0.0 110.866 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -138.45 147.2 43.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.373 0.988 . . . . 0.0 108.958 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -120.79 150.46 40.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.743 1.217 . . . . 0.0 111.209 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.94 94.56 3.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.605 2.362 . . . . 0.0 106.766 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -21.85 66.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.888 -0.508 . . . . 0.0 111.232 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.03 6.04 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.478 -0.764 . . . . 0.0 109.539 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -85.23 -4.63 59.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.977 1.311 . . . . 0.0 109.839 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 61.15 43.13 11.41 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.605 1.962 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -117.34 154.03 31.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 110.78 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.15 127.86 29.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -127.0 137.41 53.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.256 0.622 . . . . 0.0 111.816 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' CE3' ' A' ' 44' ' ' TRP . 3.9 t -112.59 112.05 38.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 102.149 -3.278 . . . . 0.0 102.149 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.8 m -114.22 107.79 16.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.811 0.695 . . . . 0.0 111.42 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.253 1.285 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.304 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.57 165.59 12.45 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.678 0.752 . . . . 0.0 112.18 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -123.06 107.84 12.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.371 2.268 . . . . 0.0 106.424 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.72 117.5 23.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -109.91 98.23 6.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.9 112.99 18.79 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -120.21 80.53 1.62 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.92 1.288 . . . . 0.0 109.298 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.32 177.44 52.87 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-O 121.855 0.697 . . . . 0.0 112.977 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -86.2 -9.97 55.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.811 1.245 . . . . 0.0 112.806 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.97 -22.72 1.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.402 0.681 . . . . 0.0 112.656 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.61 169.9 18.65 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.372 1.469 . . . . 0.0 110.126 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -140.66 166.5 24.59 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.23 1.412 . . . . 0.0 109.834 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.33 162.35 33.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.76 119.7 7.65 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 121.643 -0.916 . . . . 0.0 108.704 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -138.96 163.62 31.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.759 1.224 . . . . 0.0 109.518 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -130.67 135.25 47.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.924 -1.11 . . . . 0.0 109.858 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -150.08 138.68 20.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.602 1.561 . . . . 0.0 108.143 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -97.69 156.17 16.67 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.464 1.029 . . . . 0.0 110.564 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.13 166.15 30.33 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.983 0.913 . . . . 0.0 110.9 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.36 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.53 166.12 32.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.852 0.861 . . . . 0.0 111.178 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.58 64.17 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.671 1.988 . . . . 0.0 112.058 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 -40.34 67.92 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.518 0.599 . . . . 0.0 112.015 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -70.68 -42.54 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.86 76.13 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.106 0.866 . . . . 0.0 109.635 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.61 -45.52 66.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.116 2.167 . . . . 0.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -69.65 -47.91 61.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.645 1.578 . . . . 0.0 112.403 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.02 -52.98 53.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.74 -18.12 63.71 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -58.14 -31.71 67.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 120.115 1.325 . . . . 0.0 109.853 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -63.68 -38.13 89.96 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.623 1.569 . . . . 0.0 112.536 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.96 38.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.068 0.849 . . . . 0.0 111.374 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.21 -35.26 76.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.581 0.628 . . . . 0.0 110.909 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.77 -9.53 44.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.617 1.167 . . . . 0.0 111.686 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -115.1 -1.56 12.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.525 1.53 . . . . 0.0 111.162 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.07 31.55 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.44 142.14 43.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 119.711 1.756 . . . . 0.0 110.635 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -156.04 98.42 1.88 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.65 -170.94 12.02 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -74.92 111.48 10.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.398 0.679 . . . . 0.0 110.497 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.81 100.37 7.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.302 1.841 . . . . 0.0 109.646 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.3 m -125.31 136.3 53.35 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.352 1.061 . . . . 0.0 109.449 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -119.29 150.48 40.05 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -122.22 102.85 8.38 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.999 2.12 . . . . 0.0 105.432 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.23 -27.58 68.08 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.85 -1.156 . . . . 0.0 112.871 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.93 77.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.544 0.611 . . . . 0.0 111.316 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -108.08 -3.9 18.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.469 1.908 . . . . 0.0 111.086 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm 53.64 29.57 9.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.85 1.66 . . . . 0.0 111.966 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 p -97.6 153.18 18.36 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.633 1.173 . . . . 0.0 107.899 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.59 102.18 4.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 m -96.91 137.15 36.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 111.513 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.85 98.02 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 N-CA-C 103.203 -2.888 . . . . 0.0 103.203 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.3 m -102.29 109.59 21.31 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.157 0.983 . . . . 0.0 110.304 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 . . . . . 0 C--O 1.248 0.996 0 C-N-CA 124.464 1.106 . . . . 0.0 110.139 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -94.38 149.81 20.88 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -126.32 105.29 8.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -97.22 111.8 23.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.675 0.79 . . . . 0.0 108.882 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.57 141.35 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.33 123.85 47.57 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -123.74 88.88 2.99 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.51 153.12 17.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 123.351 0.5 . . . . 0.0 112.616 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.37 5.28 0.07 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.791 2.436 . . . . 0.0 115.659 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.4 m -140.83 -35.66 0.48 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.341 1.056 . . . . 0.0 111.472 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 164.91 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.022 0.929 . . . . 0.0 111.71 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -134.49 166.03 23.82 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.947 1.299 . . . . 0.0 108.652 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.8 164.4 34.67 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.29 119.45 5.89 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -133.58 160.42 37.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.335 1.054 . . . . 0.0 109.872 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.0 p -133.21 136.27 45.53 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.082 0.856 . . . . 0.0 110.444 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -148.5 138.66 22.46 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.752 -1.218 . . . . 0.0 109.052 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.48 140.39 37.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.893 0.77 . . . . 0.0 109.836 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 164.52 38.33 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.665 0.786 . . . . 0.0 111.247 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.85 -21.42 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.183 1.393 . . . . 0.0 111.135 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.38 142.0 27.76 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.81 69.88 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.819 1.247 . . . . 0.0 111.728 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.8 86.93 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.332 0.653 . . . . 0.0 110.161 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -31.84 72.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.16 0.984 . . . . 0.0 110.091 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.75 21.56 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.11 -50.43 69.25 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.377 1.871 . . . . 0.0 112.311 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -53.63 -39.25 64.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.409 0.549 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.83 -53.8 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.092 0.86 . . . . 0.0 109.176 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -58.75 -23.93 60.77 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -52.65 -43.6 65.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.129 0.877 . . . . 0.0 112.658 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.14 -57.71 11.86 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.415 1.086 . . . . 0.0 108.901 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -52.27 -52.85 50.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 111.312 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.23 -54.04 51.29 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.685 0.675 . . . . 0.0 111.508 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -50.21 74.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.901 0.88 . . . . 0.0 112.16 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.41 -38.65 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.981 1.312 . . . . 0.0 112.257 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -78.39 0.19 26.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.132 0.973 . . . . 0.0 112.862 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.38 22.88 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.426 -0.652 . . . . 0.0 114.487 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.23 153.36 24.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 118.858 1.329 . . . . 0.0 109.454 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.31 168.01 22.93 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.142 2.177 . . . . 0.0 107.143 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.42 -166.05 31.57 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -84.81 139.29 32.03 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -103.42 99.55 9.38 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.03 0.919 . . . . 0.0 109.504 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m -118.09 128.97 55.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 127.247 2.219 . . . . 0.0 107.071 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -116.49 149.1 40.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.199 1.4 . . . . 0.0 110.083 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.98 95.95 3.54 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.14 59.38 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.704 -0.623 . . . . 0.0 111.073 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 -58.51 3.84 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.501 1.121 . . . . 0.0 108.605 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -77.3 -13.13 59.99 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm 61.57 51.55 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.876 2.071 . . . . 0.0 111.666 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -132.47 152.14 51.63 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.091 1.756 . . . . 0.0 109.765 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.62 107.6 3.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -128.47 125.69 38.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.591 1.087 . . . . 0.0 110.79 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -83.59 110.88 18.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -123.5 127.91 49.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.429 1.092 . . . . 0.0 109.17 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.287 1.435 . . . . 0.0 107.879 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 C--O 1.233 0.192 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -94.09 120.3 34.14 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -74.37 124.81 27.19 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.04 119.04 34.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.34 108.51 24.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 102.65 -3.093 . . . . 0.0 102.65 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 tp -94.95 113.58 25.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.284 1.433 . . . . 0.0 107.725 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.01 86.13 2.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.466 1.507 . . . . 0.0 108.914 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.64 -169.61 46.07 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.94 0.781 . . . . 0.0 112.579 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -6.8 32.51 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.7 m -141.64 -17.4 0.78 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.938 -1.102 . . . . 0.0 112.325 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 166.08 27.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.756 1.623 . . . . 0.0 109.434 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -136.59 166.06 24.42 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.059 1.344 . . . . 0.0 108.972 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.84 156.96 27.26 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.769 -1.333 . . . . 0.0 109.769 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -147.42 118.26 7.61 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -140.95 175.69 9.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 110.226 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 p -145.24 135.32 23.83 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.267 -0.896 . . . . 0.0 109.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -149.76 138.98 21.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.418 1.487 . . . . 0.0 107.791 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.39 147.72 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.77 179.04 9.46 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 126.051 1.74 . . . . 0.0 109.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.0 -44.31 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.453 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -151.57 176.5 11.28 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.529 1.059 . . . . 0.0 110.098 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.47 62.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.751 1.62 . . . . 0.0 113.253 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.7 73.92 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 119.618 1.099 . . . . 0.0 111.865 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.8 m -65.48 -35.81 81.99 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.564 -0.71 . . . . 0.0 110.316 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.78 63.03 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.856 0.753 . . . . 0.0 109.284 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.41 -54.09 41.88 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 128.126 2.57 . . . . 0.0 111.085 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -65.07 -53.46 45.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.718 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.78 -53.65 39.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.711 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.08 -13.42 61.91 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 117.186 -1.388 . . . . 0.0 113.381 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -58.1 -32.82 68.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.041 1.746 . . . . 0.0 109.384 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.81 -58.21 9.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -59.92 -46.88 87.96 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.579 1.152 . . . . 0.0 110.951 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -54.92 39.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.955 0.502 . . . . 0.0 111.171 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.06 -29.51 67.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 -21.43 61.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.969 0.907 . . . . 0.0 109.925 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -95.15 -1.64 51.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.334 1.854 . . . . 0.0 109.422 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.55 28.79 42.03 Favored Glycine 0 C--N 1.34 0.795 0 O-C-N 120.753 -1.217 . . . . 0.0 114.699 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 t -126.36 127.02 70.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 118.617 1.208 . . . . 0.0 110.28 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -150.9 97.53 2.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.44 -156.95 8.4 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 124.347 0.975 . . . . 0.0 111.321 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.42 113.01 19.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.977 1.311 . . . . 0.0 110.243 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -88.52 104.89 17.24 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.15 1.78 . . . . 0.0 109.76 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 120.48 32.19 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.16 0.981 . . . . 0.0 110.213 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -93.26 150.55 20.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.109 1.764 . . . . 0.0 111.408 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -136.33 94.41 3.02 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -34.79 78.74 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.649 -0.657 . . . . 0.0 111.793 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -51.73 66.25 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.303 1.041 . . . . 0.0 109.865 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -80.84 -13.95 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.052 0.941 . . . . 0.0 110.656 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.256 9.4 ttmt 57.61 51.95 8.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.835 2.854 . . . . 0.0 110.76 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -132.48 154.38 49.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 109.221 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.9 101.67 3.45 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m -101.62 137.31 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.955 0.902 . . . . 0.0 112.801 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.4 t -109.78 103.52 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 103.906 -2.627 . . . . 0.0 103.906 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -112.62 109.18 18.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.724 0.693 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 126.239 1.815 . . . . 0.0 107.536 178.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -94.64 97.21 9.94 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.9 0.857 . . . . 0.0 109.741 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.43 110.16 14.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.62 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.516 1.127 . . . . 0.0 110.927 -179.189 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.29 123.97 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 126.374 1.869 . . . . 0.0 106.764 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.67 113.89 25.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.02 80.0 1.48 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.28 -175.66 48.84 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 124.221 0.915 . . . . 0.0 114.125 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.85 -3.25 49.21 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 112.809 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -141.33 -25.78 0.71 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 120.799 -1.188 . . . . 0.0 112.361 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 169.42 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.287 1.435 . . . . 0.0 110.002 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -139.51 165.67 26.61 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.723 1.609 . . . . 0.0 108.464 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.75 161.75 33.49 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.08 119.04 8.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.817 0.809 . . . . 0.0 109.161 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 p -133.88 171.13 14.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.159 1.783 . . . . 0.0 109.127 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -157.17 137.42 12.79 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 120.386 -1.446 . . . . 0.0 111.192 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 m -148.52 138.25 22.17 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.445 1.898 . . . . 0.0 107.795 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.41 138.58 31.32 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.132 0.878 . . . . 0.0 108.811 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.98 172.45 12.67 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 111.359 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.09 -43.5 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.113 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.61 161.7 36.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.664 0.785 . . . . 0.0 109.912 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.26 81.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.041 0.937 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.26 -27.66 66.01 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -71.13 -49.44 44.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.05 82.41 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.696 0.798 . . . . 0.0 111.122 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -55.13 -54.77 39.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.772 2.029 . . . . 0.0 110.541 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -71.19 -35.65 71.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -70.51 -56.27 11.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 119.097 0.862 . . . . 0.0 109.997 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -68.59 -10.23 54.63 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.93 -37.66 61.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.959 1.254 . . . . 0.0 109.544 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -51.08 -56.91 10.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 109.27 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -32.08 73.59 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.411 1.484 . . . . 0.0 113.771 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.6 34.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.063 0.847 . . . . 0.0 109.545 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.25 -35.53 80.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.77 -13.21 58.96 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.725 -0.61 . . . . 0.0 112.318 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -111.12 1.91 17.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.517 1.127 . . . . 0.0 111.834 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.72 43.57 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.901 0.773 . . . . 0.0 113.995 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 t -119.75 139.76 46.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 118.703 1.252 . . . . 0.0 110.975 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -157.06 98.28 1.73 Allowed 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.54 -168.63 11.34 Favored Glycine 0 C--N 1.331 0.259 0 O-C-N 121.903 -0.498 . . . . 0.0 112.912 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -77.0 104.78 7.68 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.41 0.684 . . . . 0.0 110.308 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -72.59 116.93 13.65 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.473 1.509 . . . . 0.0 107.869 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -134.56 138.76 44.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.356 1.062 . . . . 0.0 108.276 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -107.54 150.3 27.0 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.719 1.608 . . . . 0.0 113.12 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -131.27 102.28 5.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.858 2.463 . . . . 0.0 105.755 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -25.21 60.18 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.5 -56.2 5.1 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.302 0.641 . . . . 0.0 109.757 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -78.67 -11.96 60.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.786 0.834 . . . . 0.0 110.387 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 58.91 57.48 3.58 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.656 1.982 . . . . 0.0 109.729 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.68 154.74 49.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.563 1.545 . . . . 0.0 110.022 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.558 ' HB3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -135.61 118.07 15.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 102.099 -3.297 . . . . 0.0 102.099 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.9 m -120.38 136.23 54.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.776 0.716 . . . . 0.0 111.102 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.5 t -110.22 101.45 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.0 m -100.18 110.04 22.3 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.947 1.299 . . . . 0.0 110.626 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.562 1.545 . . . . 0.0 112.379 -179.153 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -94.2 115.68 27.98 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -74.42 127.12 32.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.13 128.59 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.19 124.54 68.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.02 113.17 25.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -118.33 79.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.77 173.3 47.14 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -3.09 58.85 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -136.92 -25.19 1.1 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.999 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 170.13 18.22 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.425 1.49 . . . . 0.0 110.332 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -137.53 166.27 24.28 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.823 1.249 . . . . 0.0 110.925 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.78 162.18 31.48 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -151.56 119.06 6.03 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.001 0.901 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.8 p -141.55 -179.51 6.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.628 1.571 . . . . 0.0 109.056 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -158.84 136.14 9.95 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 119.899 -1.75 . . . . 0.0 108.205 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -149.01 139.0 22.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.366 1.466 . . . . 0.0 109.793 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.55 142.05 27.89 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.17 167.58 23.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 122.783 0.433 . . . . 0.0 110.647 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.86 -38.38 81.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.488 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -152.17 166.43 31.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.086 0.857 . . . . 0.0 109.661 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.51 75.06 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 125.133 1.373 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.95 80.24 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.497 0.719 . . . . 0.0 110.817 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -65.52 -48.96 70.72 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.09 77.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.242 0.617 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.45 -54.55 38.42 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.973 1.709 . . . . 0.0 110.249 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.19 -41.67 89.05 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.742 -0.598 . . . . 0.0 112.258 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.09 -56.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.51 -14.52 51.88 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -62.99 -22.28 66.73 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.362 1.437 . . . . 0.0 109.301 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.91 -58.06 9.37 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -55.94 -45.23 78.87 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.773 2.029 . . . . 0.0 111.662 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -54.37 47.64 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.117 0.871 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.43 -40.45 94.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.385 0.674 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.78 -9.82 59.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.058 2.543 . . . . 0.0 113.523 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -111.65 -4.34 14.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.743 0.817 . . . . 0.0 112.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.18 30.33 17.24 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 118.52 -1.156 . . . . 0.0 114.705 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -126.9 147.62 31.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.174 1.487 . . . . 0.0 108.801 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -158.19 98.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.44 -179.12 17.25 Favored Glycine 0 C--O 1.227 -0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 112.787 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.71 105.18 2.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 110.87 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -67.37 107.64 2.49 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.39 1.476 . . . . 0.0 107.825 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -125.42 154.03 42.57 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.52 150.1 51.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.494 1.118 . . . . 0.0 111.687 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -131.94 105.43 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.257 1.823 . . . . 0.0 106.251 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.0 -19.52 62.51 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.24 -52.36 7.82 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 m -78.78 -14.29 59.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.269 0.628 . . . . 0.0 109.992 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 60.15 54.59 4.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.934 2.094 . . . . 0.0 109.615 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.8 p -132.65 154.17 50.37 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.176 1.39 . . . . 0.0 112.096 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.65 109.55 9.8 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 102.818 -3.03 . . . . 0.0 102.818 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 m -113.55 136.18 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -99.71 98.97 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 101.3 -3.593 . . . . 0.0 101.3 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -101.35 99.94 10.36 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.688 1.195 . . . . 0.0 110.566 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -94.59 128.94 41.56 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -86.57 103.32 14.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.163 1.785 . . . . 0.0 106.993 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.03 116.54 26.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.36 116.59 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 35' ' ' ALA . 2.6 mp -84.35 113.67 21.32 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 104.702 -2.333 . . . . 0.0 104.702 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.89 80.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.5 159.71 29.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -5.15 39.18 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.064 0.932 . . . . 0.0 113.29 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 m -127.55 -33.44 2.32 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.407 0.683 . . . . 0.0 112.563 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.64 165.3 29.98 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.78 1.232 . . . . 0.0 109.784 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -139.36 165.57 26.86 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.175 0.99 . . . . 0.0 112.425 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.71 164.89 32.85 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.21 119.58 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -136.12 171.83 13.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.966 0.906 . . . . 0.0 109.838 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 p -139.68 136.59 34.4 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.066 0.946 . . . . 0.0 108.622 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -149.32 138.32 21.28 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.27 142.23 27.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.476 0.71 . . . . 0.0 109.111 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.38 168.41 25.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.712 1.205 . . . . 0.0 111.22 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.02 -20.09 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.816 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 152.9 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.872 1.215 . . . . 0.0 112.16 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.54 98.98 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.009 0.924 . . . . 0.0 109.077 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.67 93.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.217 1.007 . . . . 0.0 110.043 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 m -59.17 -48.9 79.92 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.351 -0.843 . . . . 0.0 108.893 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.87 78.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.598 0.359 . . . . 0.0 110.652 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.89 -54.17 50.08 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.663 1.585 . . . . 0.0 111.617 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.14 -48.44 76.26 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.524 0.73 . . . . 0.0 110.803 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.63 -55.18 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 122.758 0.423 . . . . 0.0 109.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.2 -13.75 30.88 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 117.445 -1.264 . . . . 0.0 114.393 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -59.42 -28.57 67.05 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.993 1.724 . . . . 0.0 109.735 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.91 -58.56 8.01 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -42.63 84.38 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.787 1.635 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -58.78 -55.02 40.53 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.93 0.332 . . . . 0.0 110.723 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.99 -29.89 63.38 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.74 -28.44 69.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.761 1.224 . . . . 0.0 109.481 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.69 -2.82 47.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.16 1.384 . . . . 0.0 112.036 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 31.15 25.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.17 -0.956 . . . . 0.0 114.266 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.56 119.08 57.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 119.244 1.522 . . . . 0.0 109.614 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.72 97.06 2.85 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.02 -163.88 11.56 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.74 117.38 20.58 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -84.9 133.13 34.3 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.87 1.268 . . . . 0.0 111.081 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -144.4 142.8 30.58 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -118.02 149.22 41.32 Favored 'General case' 0 C--O 1.228 -0.041 0 C-N-CA 126.636 1.974 . . . . 0.0 111.424 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.54 93.54 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -24.16 67.37 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.513 -0.742 . . . . 0.0 111.92 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.56 70.64 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.585 1.154 . . . . 0.0 112.683 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -119.91 2.63 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.915 2.086 . . . . 0.0 110.243 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mttt 55.89 23.32 6.44 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.088 2.155 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 p -80.89 149.3 29.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.02 107.64 3.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.1 m -118.69 136.19 54.07 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.032 -0.417 . . . . 0.0 110.053 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.77 96.53 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 100.387 -3.931 . . . . 0.0 100.387 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 m -93.29 108.77 20.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.84 0.829 . . . . 0.0 111.362 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.145 0 N-CA-C 104.041 -2.578 . . . . 0.0 104.041 178.414 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -94.81 121.54 36.51 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -76.31 106.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.39 115.62 21.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.98 123.28 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.42 113.36 25.66 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -121.06 79.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.32 176.9 40.64 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-O 122.792 1.218 . . . . 0.0 114.863 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -15.64 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.191 -1.504 . . . . 0.0 112.911 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -134.81 -25.77 1.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 169.79 18.57 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.641 1.176 . . . . 0.0 110.446 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -135.26 166.84 22.19 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.19 1.396 . . . . 0.0 110.784 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.29 160.03 29.86 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -152.3 118.52 5.55 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -141.33 170.44 15.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.431 1.092 . . . . 0.0 109.9 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -142.83 135.63 27.94 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.71 -1.244 . . . . 0.0 109.138 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -150.26 138.42 20.3 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.647 1.179 . . . . 0.0 109.869 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.08 144.72 25.24 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.9 168.3 23.39 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.5 -41.08 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.486 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.56 170.44 21.97 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.196 0.907 . . . . 0.0 109.848 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.14 -39.07 63.24 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.259 1.423 . . . . 0.0 112.437 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.93 66.32 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.773 1.229 . . . . 0.0 111.518 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 m -76.04 -49.21 18.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.51 64.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.578 0.751 . . . . 0.0 111.425 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -55.09 -54.85 37.92 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.491 1.917 . . . . 0.0 111.415 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.68 -29.57 61.27 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.14 -56.32 13.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 120.045 1.293 . . . . 0.0 108.194 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -69.08 -12.08 61.37 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.01 -0.995 . . . . 0.0 113.495 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -51.11 -41.32 59.95 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.726 1.148 . . . . 0.0 109.696 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.73 -58.11 8.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.889 1.276 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -39.91 89.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.674 1.59 . . . . 0.0 112.514 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -55.71 31.42 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.709 0.686 . . . . 0.0 111.423 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.66 -31.71 69.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.998 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.9 -37.95 89.27 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 117.817 0.28 . . . . 0.0 110.605 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -75.68 -13.59 60.33 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.024 0.53 . . . . 0.0 111.32 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.52 23.23 9.01 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.04 1.305 . . . . 0.0 113.936 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 t -126.71 116.97 46.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 CA-C-N 118.826 1.313 . . . . 0.0 111.007 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -146.87 97.53 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.36 -156.51 7.86 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 125.141 1.353 . . . . 0.0 110.215 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.75 111.67 17.41 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -78.19 135.97 37.73 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -146.09 123.88 11.93 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -102.83 149.05 24.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.947 0.899 . . . . 0.0 110.748 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.66 92.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.88 59.15 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.46 -56.15 6.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.272 0.942 . . . . 0.0 108.833 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 p -78.92 -10.58 59.85 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.775 -0.578 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 63.87 42.02 6.31 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 126.585 1.954 . . . . 0.0 108.944 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.7 p -113.9 154.21 27.91 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.822 0.849 . . . . 0.0 110.097 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.75 101.35 4.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 102.174 -3.269 . . . . 0.0 102.174 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -94.22 137.23 33.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 126.841 2.056 . . . . 0.0 111.701 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 t -114.71 101.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.9 m -103.81 113.1 26.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.026 0.931 . . . . 0.0 109.95 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 124.63 1.172 . . . . 0.0 110.304 -179.414 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 C--O 1.234 0.252 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -93.16 129.55 39.13 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.492 1.139 . . . . 0.0 108.634 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -91.1 111.68 23.25 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.178 -1.828 . . . . 0.0 106.599 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 134.73 34.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.963 0.905 . . . . 0.0 109.381 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.7 122.6 47.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -97.45 119.09 35.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.144 2.177 . . . . 0.0 105.728 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.34 80.1 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -168.06 44.36 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.463 1.03 . . . . 0.0 112.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -18.29 17.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.617 1.167 . . . . 0.0 112.725 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 m -115.41 -33.57 5.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.642 0.777 . . . . 0.0 111.743 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.46 168.62 21.44 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.864 1.666 . . . . 0.0 110.556 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -132.36 163.03 29.6 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.12 1.768 . . . . 0.0 107.432 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.79 170.31 34.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.35 119.53 4.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -138.59 178.54 7.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.951 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -139.48 137.1 35.25 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.567 -1.333 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 m -148.39 137.5 21.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.35 141.56 29.52 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.562 -0.711 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.54 161.23 40.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.722 1.609 . . . . 0.0 111.19 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.28 -39.12 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.36 161.78 37.16 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.418 1.087 . . . . 0.0 109.53 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.84 66.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.991 0.916 . . . . 0.0 111.869 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.79 92.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.404 1.002 . . . . 0.0 111.413 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -70.01 -39.17 76.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.56 -52.91 63.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.73 0.812 . . . . 0.0 109.283 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.93 -53.85 29.26 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 126.786 2.034 . . . . 0.0 110.355 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.8 -52.41 64.09 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.921 1.288 . . . . 0.0 111.703 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.41 -54.0 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 123.044 0.538 . . . . 0.0 110.09 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -54.11 -30.6 49.36 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.633 1.173 . . . . 0.0 112.548 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -52.95 -34.41 55.45 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 111.858 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -69.4 -54.68 13.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.895 0.878 . . . . 0.0 109.661 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.98 -47.81 83.82 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.36 31.35 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.41 -38.41 90.94 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.09 -17.64 64.43 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.927 0.491 . . . . 0.0 111.858 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -100.29 0.16 39.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.871 1.269 . . . . 0.0 110.454 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 23.32 44.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.097 -1.002 . . . . 0.0 113.791 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.95 127.73 75.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 CA-C-N 118.783 1.291 . . . . 0.0 108.152 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -157.17 106.99 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.7 -164.48 10.82 Favored Glycine 0 C--O 1.226 -0.369 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.04 118.06 11.47 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.168 0.587 . . . . 0.0 110.226 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -83.88 99.77 10.56 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 127.042 2.137 . . . . 0.0 111.18 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.94 134.08 54.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.471 0.708 . . . . 0.0 109.199 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -113.17 149.54 33.49 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.486 2.314 . . . . 0.0 111.416 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.32 113.4 8.34 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 126.03 1.732 . . . . 0.0 107.274 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -25.8 60.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.381 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.27 87.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.413 1.006 . . . . 0.0 111.388 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -1.75 25.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.953 0.901 . . . . 0.0 109.593 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 58.8 18.79 6.34 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.357 1.863 . . . . 0.0 110.946 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 p -83.81 136.83 33.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.917 0.887 . . . . 0.0 109.671 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.23 102.12 6.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 101.894 -3.372 . . . . 0.0 101.894 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -104.75 136.49 44.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.421 0.689 . . . . 0.0 112.367 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.24 106.01 19.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 101.558 -3.497 . . . . 0.0 101.558 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.08 108.77 14.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.989 0.813 . . . . 0.0 111.88 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.247 0.951 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 178.124 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.234 0.273 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -94.27 113.51 25.43 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.01 117.49 19.39 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -88.55 123.56 33.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.4 108.88 22.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.31 112.91 19.72 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 102.421 -3.178 . . . . 0.0 102.421 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -119.51 78.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.05 179.66 48.53 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 114.949 -1.023 . . . . 0.0 113.136 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.06 -8.48 45.75 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.588 1.555 . . . . 0.0 112.419 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -133.58 -31.93 1.17 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.034 0.833 . . . . 0.0 111.628 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 169.38 19.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.14 1.376 . . . . 0.0 109.083 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -140.4 167.81 21.28 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.873 1.269 . . . . 0.0 112.898 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.56 163.1 29.86 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -151.93 117.96 5.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 106.16 -1.792 . . . . 0.0 106.16 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 p -145.31 171.28 14.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.681 1.192 . . . . 0.0 110.971 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -139.53 134.39 32.14 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.294 -0.879 . . . . 0.0 110.907 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 m -149.88 137.52 20.03 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.51 147.69 23.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.919 1.236 . . . . 0.0 108.281 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.64 172.88 12.36 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.689 1.595 . . . . 0.0 108.955 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.2 p -78.64 -25.32 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 118.407 0.548 . . . . 0.0 110.978 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -158.81 168.42 26.86 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.697 0.681 . . . . 0.0 110.298 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.16 95.09 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.184 0.994 . . . . 0.0 110.588 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -44.81 74.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.252 0.621 . . . . 0.0 110.676 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -66.69 -48.94 67.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.79 60.65 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.963 0.505 . . . . 0.0 110.511 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -53.63 -54.09 42.56 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.596 1.558 . . . . 0.0 111.311 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -64.42 -45.42 87.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.37 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.95 -53.08 48.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 110.05 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.498 ' CD2' HD23 ' A' ' 6' ' ' LEU . 14.4 m-85 -60.92 -14.49 22.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.48 -30.03 66.67 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 119.5 1.045 . . . . 0.0 110.388 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -56.6 -58.01 9.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.73 -42.32 92.86 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.813 2.045 . . . . 0.0 111.937 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.27 43.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.876 0.762 . . . . 0.0 109.813 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -45.64 84.08 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.661 0.784 . . . . 0.0 109.38 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.77 -35.3 77.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.681 1.193 . . . . 0.0 112.755 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.43 -5.94 58.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.183 0.593 . . . . 0.0 111.574 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 29.77 36.65 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-O 118.829 -0.984 . . . . 0.0 115.34 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.32 157.51 38.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 118.546 1.173 . . . . 0.0 109.097 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.49 168.71 21.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 129.114 2.966 . . . . 0.0 105.679 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.05 -155.75 27.1 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 107.648 -2.181 . . . . 0.0 107.648 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -98.62 106.95 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -78.57 102.1 7.76 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.666 1.986 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.3 m -125.2 139.31 53.85 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -107.89 150.1 27.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.901 1.281 . . . . 0.0 111.756 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -127.01 101.04 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 127.498 2.319 . . . . 0.0 104.809 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -37.21 86.89 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 118.79 -0.624 . . . . 0.0 111.876 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.52 20.97 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.518 1.054 . . . . 0.0 109.458 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -78.71 -13.96 59.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 60.45 46.2 10.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.272 2.229 . . . . 0.0 109.676 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -120.66 154.01 36.11 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.516 1.526 . . . . 0.0 108.635 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.62 101.77 4.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.769 -3.049 . . . . 0.0 102.769 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.2 m -104.93 136.69 43.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.257 0.623 . . . . 0.0 112.139 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -108.08 98.17 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 104.014 -2.587 . . . . 0.0 104.014 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 m -115.14 145.25 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.222 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.236 0.36 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 24' ' ' ALA . 42.9 m-85 -95.53 139.97 31.04 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -81.08 108.97 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.037 0.535 . . . . 0.0 110.314 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.01 100.07 10.23 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.429 2.292 . . . . 0.0 110.139 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.54 128.66 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.207 1.403 . . . . 0.0 108.105 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -98.68 116.03 30.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 127.409 2.283 . . . . 0.0 106.336 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -119.87 82.14 1.84 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.7 159.97 14.58 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.232 0.92 . . . . 0.0 112.329 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.88 -0.31 2.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -179.279 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -141.23 -29.78 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.011 1.278 . . . . 0.0 113.42 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 163.59 35.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 108.243 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -141.0 166.13 25.63 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 125.078 1.351 . . . . 0.0 108.935 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.13 161.79 33.2 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.35 119.14 3.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.9 p -143.1 169.5 17.47 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.758 1.223 . . . . 0.0 109.065 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 p -136.08 134.08 38.02 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.322 1.419 . . . . 0.0 110.986 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -148.75 139.19 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.682 1.993 . . . . 0.0 108.298 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.54 156.19 16.91 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.36 0.982 . . . . 0.0 110.36 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.13 175.63 13.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.678 2.391 . . . . 0.0 108.479 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.19 -27.06 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 120.158 1.345 . . . . 0.0 111.784 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.16 163.51 35.99 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.097 0.559 . . . . 0.0 110.601 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . . . -56.74 -36.82 70.18 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.025 1.33 . . . . 0.0 110.836 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.65 93.69 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.019 0.927 . . . . 0.0 110.95 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 m -68.15 -49.12 63.04 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.04 -47.97 74.07 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.887 0.475 . . . . 0.0 110.475 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -51.66 -51.27 57.17 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.661 1.984 . . . . 0.0 110.823 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -74.43 -35.19 63.37 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.606 -0.684 . . . . 0.0 112.725 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.22 -54.71 21.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.82 -15.2 61.45 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.223 -1.37 . . . . 0.0 113.019 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -51.81 -41.7 61.93 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.73 1.604 . . . . 0.0 113.052 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -58.35 -56.22 24.95 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.55 -52.99 63.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.693 1.597 . . . . 0.0 112.102 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.13 -54.3 46.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.488 0.715 . . . . 0.0 112.009 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.21 -36.84 85.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.446 0.466 . . . . 0.0 110.899 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.31 -35.2 80.27 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.167 0.587 . . . . 0.0 110.54 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.16 -11.22 60.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.971 0.909 . . . . 0.0 110.268 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.87 57.56 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-O 118.576 -1.125 . . . . 0.0 112.819 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -115.59 137.04 50.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 119.254 1.527 . . . . 0.0 108.221 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -151.71 167.3 28.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.315 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -156.86 28.98 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 124.67 30.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.547 1.939 . . . . 0.0 106.458 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CH2' HG22 ' A' ' 55' ' ' VAL . 78.7 m95 -101.74 100.37 10.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 m -135.74 150.35 49.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.658 1.983 . . . . 0.0 108.12 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -122.03 150.03 42.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.422 1.489 . . . . 0.0 112.063 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.11 101.02 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 128.307 2.643 . . . . 0.0 106.482 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -38.54 86.26 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.65 53.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.277 0.944 . . . . 0.0 111.408 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.15 -14.47 59.09 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.7 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 61.43 53.38 3.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.489 2.315 . . . . 0.0 107.917 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 p -131.77 154.91 48.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.339 1.856 . . . . 0.0 111.499 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.53 102.01 3.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 103.263 -2.866 . . . . 0.0 103.263 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -110.11 126.32 53.92 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.926 1.239 . . . . 0.0 110.214 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG22 ' CH2' ' A' ' 44' ' ' TRP . 16.8 t -81.4 101.02 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -114.7 111.96 22.1 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.255 1.388 0 CA-C-O 118.135 -0.935 . . . . 0.0 109.149 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.18 127.77 43.46 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -84.7 117.51 23.84 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.79 114.62 27.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.52 137.05 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.07 121.21 44.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.26 80.34 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.02 160.46 16.85 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.52 0.581 . . . . 0.0 111.973 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -9.89 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.093 1.757 . . . . 0.0 115.254 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -136.72 -23.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 119.87 1.213 . . . . 0.0 113.787 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 158.65 43.98 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.016 0.926 . . . . 0.0 109.467 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -134.31 165.86 24.15 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.456 1.102 . . . . 0.0 109.963 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.94 160.26 28.96 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -148.85 118.98 7.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -144.11 170.18 16.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.351 1.061 . . . . 0.0 108.857 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.35 136.9 28.34 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.9 -1.125 . . . . 0.0 111.221 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.1 m -148.56 138.94 22.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.913 1.285 . . . . 0.0 108.537 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.76 142.91 28.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.66 0.664 . . . . 0.0 111.202 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.19 166.12 34.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.342 0.657 . . . . 0.0 111.768 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.59 -32.47 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.121 0.968 . . . . 0.0 109.99 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -154.23 166.26 33.71 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.93 69.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.895 -0.574 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -40.5 65.37 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.614 1.166 . . . . 0.0 112.425 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 m -70.85 -46.96 61.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.4 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.083 0.553 . . . . 0.0 112.491 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.53 -55.58 24.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.546 1.938 . . . . 0.0 110.53 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -75.48 -35.99 60.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -55.43 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 120.806 1.639 . . . . 0.0 110.52 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -71.92 -8.59 55.34 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -51.26 -42.89 61.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.571 1.532 . . . . 0.0 113.032 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -55.71 -58.91 5.85 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 124.8 1.24 . . . . 0.0 108.787 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -56.37 -45.73 80.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.871 1.268 . . . . 0.0 112.428 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.539 0.609 . . . . 0.0 111.841 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.64 -29.96 63.9 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.693 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.71 -29.75 70.32 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.385 0.674 . . . . 0.0 109.716 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.82 -12.93 46.5 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.009 1.324 . . . . 0.0 110.69 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.32 18.48 16.71 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.269 -1.295 . . . . 0.0 115.676 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.72 129.26 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 119.902 1.851 . . . . 0.0 109.66 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -143.01 127.11 17.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.41 -156.82 10.64 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.85 106.35 14.61 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.205 1.802 . . . . 0.0 109.515 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -84.02 101.67 11.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.104 1.362 . . . . 0.0 108.746 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 m -115.59 120.56 39.83 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.987 0.812 . . . . 0.0 109.661 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -96.88 145.64 25.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.201 1.401 . . . . 0.0 109.33 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.46 109.59 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -30.97 63.67 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -46.59 71.28 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.004 1.274 . . . . 0.0 109.212 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 m -78.66 -14.49 59.28 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 tttp 51.53 50.75 18.16 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.515 2.726 . . . . 0.0 111.098 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -132.59 154.18 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.459 1.504 . . . . 0.0 109.9 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.44 102.57 4.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -115.16 136.33 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.421 -0.799 . . . . 0.0 112.805 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -95.3 103.12 14.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -112.61 127.35 56.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 126.59 1.956 . . . . 0.0 105.987 179.731 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -95.37 115.0 26.83 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -78.43 111.01 14.01 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.6 117.93 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.05 119.26 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.58 120.5 30.93 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -135.07 82.69 1.97 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.07 0.948 . . . . 0.0 111.163 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 160.96 18.89 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.821 0.724 . . . . 0.0 111.663 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -0.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.083 3.353 . . . . 0.0 119.284 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.8 m -141.84 -35.47 0.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 122.738 2.517 . . . . 0.0 113.515 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 169.42 19.2 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.96 0.8 . . . . 0.0 109.558 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -140.67 167.12 22.92 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.963 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.24 152.37 24.27 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -143.91 117.58 9.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -143.25 163.37 33.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.56 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.41 135.66 44.76 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.341 -0.849 . . . . 0.0 109.298 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 m -149.24 138.71 21.64 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 126.879 2.072 . . . . 0.0 105.989 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.37 139.48 37.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.316 0.962 . . . . 0.0 110.086 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 172.11 13.32 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.508 1.123 . . . . 0.0 110.81 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.36 -19.88 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.44 0.696 . . . . 0.0 110.983 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 163.17 40.57 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.707 0.685 . . . . 0.0 109.705 -179.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.71 97.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.522 0.729 . . . . 0.0 111.39 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.46 77.34 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.986 0.914 . . . . 0.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.5 m -64.7 -30.65 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.133 -0.98 . . . . 0.0 110.067 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.9 57.23 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.258 -0.902 . . . . 0.0 109.516 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.63 -54.26 46.33 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 127.663 2.385 . . . . 0.0 111.296 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -64.55 -43.22 94.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.792 1.237 . . . . 0.0 113.515 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.93 -55.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.96 -12.73 57.02 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.91 -35.17 68.69 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.927 1.239 . . . . 0.0 110.317 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -56.57 -55.53 32.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -39.66 94.86 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 126.37 1.868 . . . . 0.0 111.478 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.25 -54.64 44.54 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.194 0.906 . . . . 0.0 111.165 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -69.07 -36.38 77.56 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.808 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.2 -19.6 63.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.27 -11.89 23.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.179 0.992 . . . . 0.0 110.619 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.7 31.82 9.09 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 120.852 -1.155 . . . . 0.0 114.372 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.57 145.26 34.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.518 1.152 . . . . 0.0 108.114 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -148.06 166.92 26.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.524 1.929 . . . . 0.0 105.879 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.71 -158.49 29.09 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 119.4 1.0 . . . . 0.0 111.946 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -96.88 105.9 18.12 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.425 1.89 . . . . 0.0 109.182 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -77.76 113.94 16.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.4 1.08 . . . . 0.0 108.425 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 m -135.4 121.35 19.88 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -93.67 149.34 21.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.107 0.963 . . . . 0.0 108.765 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -124.23 106.48 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.096 1.759 . . . . 0.0 106.342 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -17.64 64.7 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.56 5.64 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.404 1.002 . . . . 0.0 110.677 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -78.6 -13.17 59.96 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 52.84 41.25 31.75 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.284 2.234 . . . . 0.0 111.636 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.4 p -117.34 154.23 31.63 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.635 1.574 . . . . 0.0 106.865 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.41 101.81 4.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.75 -3.056 . . . . 0.0 102.75 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 136.16 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 95.03 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 1 N-CA-C 97.102 -5.147 . . . . 0.0 97.102 176.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 m -113.29 145.83 40.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 108.604 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.346 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.232 0.184 0 CA-C-O 119.652 -0.214 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -94.56 120.63 35.09 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -74.38 105.63 5.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -87.88 109.5 19.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.858 0.863 . . . . 0.0 110.237 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.65 143.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.235 1.414 . . . . 0.0 107.292 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 35' ' ' ALA . 6.4 mp -112.48 129.62 56.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.54 80.08 1.83 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.89 172.65 54.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 124.706 1.146 . . . . 0.0 111.717 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -7.83 55.99 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.55 -19.76 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 160.61 42.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -125.96 166.93 16.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.216 1.407 . . . . 0.0 110.178 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.35 161.36 30.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.11 122.34 9.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -142.79 165.99 25.86 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.239 1.416 . . . . 0.0 110.885 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -149.02 135.38 19.33 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.455 -0.778 . . . . 0.0 110.307 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.5 m -148.66 138.29 22.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.412 1.885 . . . . 0.0 106.313 177.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.41 121.27 35.77 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 171.79 9.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.253 1.421 . . . . 0.0 109.22 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.33 -37.79 32.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.058 -0.496 . . . . 0.0 109.742 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.38 166.0 27.65 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.36 0.664 . . . . 0.0 110.229 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.87 -43.49 77.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.228 1.411 . . . . 0.0 111.772 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 118.337 0.517 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.5 m -66.13 -49.17 68.38 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.7 84.56 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.821 0.448 . . . . 0.0 110.741 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -58.75 -54.41 47.44 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.503 1.521 . . . . 0.0 109.694 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -61.92 -35.87 79.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.18 -56.91 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.468 1.031 . . . . 0.0 111.43 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -65.79 -14.66 61.8 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -57.11 -31.19 65.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.434 1.47 . . . . 0.0 110.635 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.32 -56.51 20.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.115 1.366 . . . . 0.0 107.863 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.83 -44.88 90.99 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 110.724 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -59.8 -55.28 36.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.645 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -70.75 -32.12 69.18 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.622 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.05 -31.74 72.95 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.055 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -93.23 -0.27 56.87 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.675 0.79 . . . . 0.0 112.605 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.81 32.68 12.4 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.073 -1.404 . . . . 0.0 115.814 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.7 t -120.79 133.03 68.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 119.976 1.888 . . . . 0.0 109.425 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -148.03 98.54 2.95 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.317 1.047 . . . . 0.0 109.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.43 -172.69 18.58 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 123.519 0.581 . . . . 0.0 112.255 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.53 125.38 26.53 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.319 1.047 . . . . 0.0 111.108 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -88.4 99.92 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.918 1.687 . . . . 0.0 108.838 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.7 m -120.23 122.89 41.91 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.15 0.58 . . . . 0.0 110.091 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -99.14 149.63 22.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.743 2.017 . . . . 0.0 111.983 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -137.35 92.0 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -65.95 -19.8 65.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.213 1.405 . . . . 0.0 113.365 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.6 -50.81 9.48 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -78.46 -14.21 59.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 61.55 33.06 18.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 127.846 2.458 . . . . 0.0 110.936 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 p -117.57 154.34 31.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.23 122.82 12.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.101 -3.296 . . . . 0.0 102.101 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.6 135.7 54.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.196 0.453 . . . . 0.0 111.549 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.34 95.8 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 100.849 -3.76 . . . . 0.0 100.849 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 m -105.25 124.54 49.72 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 109.238 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.249 1.03 0 C-N-CA 126.447 1.899 . . . . 0.0 110.687 -178.585 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.8 m . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -123.32 125.61 45.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.725 1.21 . . . . 0.0 107.855 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -86.73 111.9 21.15 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 107.16 17.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.511 1.124 . . . . 0.0 109.348 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.33 123.85 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.61 119.49 39.58 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.15 106.37 9.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.656 1.182 . . . . 0.0 108.067 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.44 178.4 17.69 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.282 0.944 . . . . 0.0 113.54 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -6.67 56.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.011 0.924 . . . . 0.0 112.791 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -137.35 -27.16 0.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 170.42 17.17 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.552 1.141 . . . . 0.0 111.512 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -141.04 166.36 25.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.857 1.663 . . . . 0.0 109.765 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.39 161.05 31.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.42 118.85 8.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 p -138.07 175.21 9.78 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.307 1.043 . . . . 0.0 110.672 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.9 p -134.53 143.27 47.33 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.906 -1.121 . . . . 0.0 111.143 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.483 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -146.68 138.97 24.87 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -116.16 110.45 18.84 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.47 165.43 26.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.366 1.466 . . . . 0.0 109.856 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.83 -26.47 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.117 0.967 . . . . 0.0 112.306 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.03 157.76 44.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.912 0.778 . . . . 0.0 111.772 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.5 -37.8 82.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.529 1.532 . . . . 0.0 109.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.12 75.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.505 0.722 . . . . 0.0 110.84 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -65.37 -45.76 82.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.53 0.604 . . . . 0.0 109.468 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -49.76 72.24 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.91 -55.09 37.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.501 1.52 . . . . 0.0 111.903 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.92 -48.26 82.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.874 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.77 -52.26 41.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.187 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CE2' ' HB ' ' A' ' 19' ' ' THR . 1.9 m-85 -65.46 -16.22 63.42 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-O 117.713 -1.137 . . . . 0.0 113.041 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.81 -33.43 61.56 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 120.411 1.46 . . . . 0.0 111.069 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.51 -58.63 7.47 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -44.27 96.89 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 125.591 1.557 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.91 -53.68 55.51 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.597 0.759 . . . . 0.0 110.674 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.06 -42.54 99.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.957 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.86 -32.71 74.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.468 1.507 . . . . 0.0 111.564 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -78.86 -19.34 52.22 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.436 1.095 . . . . 0.0 109.765 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.51 21.73 9.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.98 1.276 . . . . 0.0 115.278 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.08 131.59 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 119.632 1.716 . . . . 0.0 108.964 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -151.97 98.44 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.6 -156.96 7.45 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 123.641 0.639 . . . . 0.0 112.792 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -69.96 105.85 2.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.509 1.524 . . . . 0.0 112.459 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -84.62 104.37 14.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.709 1.603 . . . . 0.0 109.771 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -120.64 124.96 46.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.351 1.432 . . . . 0.0 110.787 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -91.39 148.76 22.09 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.492 1.117 . . . . 0.0 110.071 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -135.31 92.4 2.85 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.529 1.932 . . . . 0.0 106.583 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -21.25 65.64 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.619 -0.676 . . . . 0.0 112.111 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.39 -49.41 42.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 119.031 0.832 . . . . 0.0 109.411 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -89.4 -10.57 46.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.32 0.509 . . . . 0.0 110.872 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.36 54.36 3.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.15 2.18 . . . . 0.0 109.315 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 p -131.22 154.69 48.16 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 127.053 2.141 . . . . 0.0 107.727 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.44 102.79 4.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -105.16 136.37 44.79 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.91 96.66 4.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 101.692 -3.448 . . . . 0.0 101.692 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -97.04 88.49 4.52 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.252 1.231 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.218 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mmt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.49 147.22 18.49 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 107.554 -2.219 . . . . 0.0 107.554 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.1 m -95.43 116.98 29.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.878 0.839 . . . . 0.0 110.61 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -95.34 128.3 42.07 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -92.02 114.88 27.54 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 126.387 1.875 . . . . 0.0 106.824 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.81 122.71 36.57 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.933 0.893 . . . . 0.0 109.658 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -121.67 112.64 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -82.37 113.62 20.27 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 102.773 -3.047 . . . . 0.0 102.773 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -117.99 79.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.18 171.23 25.46 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-O 122.799 1.222 . . . . 0.0 113.433 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 2.57 42.56 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.646 1.579 . . . . 0.0 112.419 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -141.3 -35.66 0.46 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.456 0.702 . . . . 0.0 112.426 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.8 166.96 25.08 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.516 1.126 . . . . 0.0 109.664 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -138.43 166.54 23.99 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 125.307 1.443 . . . . 0.0 110.71 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.04 158.52 28.92 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 108.759 -1.736 . . . . 0.0 108.759 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -143.41 118.92 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 p -139.94 170.14 16.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.885 1.274 . . . . 0.0 109.411 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -141.34 135.28 30.35 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 121.014 -1.054 . . . . 0.0 110.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 m -149.49 137.92 20.79 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.32 1.048 . . . . 0.0 108.721 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -102.27 146.66 27.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.097 0.862 . . . . 0.0 109.633 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.76 171.6 20.01 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.762 1.625 . . . . 0.0 109.333 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -70.11 -28.86 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.485 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.87 166.88 31.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 119.578 1.081 . . . . 0.0 113.604 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.73 -45.45 74.09 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.964 2.105 . . . . 0.0 111.845 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.91 65.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.353 0.524 . . . . 0.0 112.31 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.2 m -75.78 -38.47 58.26 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.098 -1.001 . . . . 0.0 108.998 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.86 -52.57 65.17 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.04 -54.08 50.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -54.09 -44.59 71.35 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.981 -0.449 . . . . 0.0 112.102 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.83 -56.24 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 122.388 0.275 . . . . 0.0 110.411 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.27 -22.65 65.04 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -57.0 -30.97 64.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.446 1.475 . . . . 0.0 111.262 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -56.6 -57.74 11.08 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -42.75 96.25 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 127.317 2.247 . . . . 0.0 112.031 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.66 -54.95 40.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.914 0.779 . . . . 0.0 111.236 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.99 -29.91 67.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.644 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.47 -36.08 80.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -77.99 -21.52 50.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.33 1.052 . . . . 0.0 112.396 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.83 27.52 5.39 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 118.834 -0.981 . . . . 0.0 113.955 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.6 t -125.55 126.34 70.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 118.745 1.273 . . . . 0.0 108.092 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -145.17 98.82 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.28 -157.0 7.02 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-O 121.586 0.548 . . . . 0.0 113.838 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.65 106.51 13.65 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.607 2.363 . . . . 0.0 112.198 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -75.22 110.29 9.43 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.765 2.026 . . . . 0.0 108.572 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -129.14 128.46 43.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.083 0.953 . . . . 0.0 109.525 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -111.07 150.47 29.31 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.398 1.479 . . . . 0.0 113.962 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -134.03 106.59 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.21 -25.72 62.63 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 120.85 -1.156 . . . . 0.0 112.661 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.53 97.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.178 0.899 . . . . 0.0 110.494 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -99.29 -8.8 24.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.458 1.503 . . . . 0.0 110.465 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 59.56 29.75 19.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.96 2.104 . . . . 0.0 111.178 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 p -96.88 153.69 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 124.487 1.115 . . . . 0.0 108.484 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.42 101.95 3.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 103.66 -2.719 . . . . 0.0 103.66 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.6 m -101.54 136.65 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.318 1.047 . . . . 0.0 112.063 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.9 t -108.09 100.33 10.5 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 N-CA-C 102.729 -3.063 . . . . 0.0 102.729 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 74.6 m -97.18 121.85 39.54 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.373 0.669 . . . . 0.0 110.044 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 C--O 1.249 1.038 0 C-N-CA 125.065 1.346 . . . . 0.0 108.904 179.728 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -49.97 143.55 11.28 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.682 1.134 . . . . 0.0 112.556 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.74 122.99 39.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.5 113.42 25.26 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 104.379 -2.452 . . . . 0.0 104.379 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -74.35 126.61 31.06 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.97 119.88 38.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.74 115.71 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.48 116.97 29.51 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -127.76 117.02 21.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.39 1.076 . . . . 0.0 108.163 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -148.77 -172.26 18.39 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 119.225 0.92 . . . . 0.0 114.52 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -11.97 59.11 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 116.496 2.035 . . . . 0.0 116.496 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 m -126.18 -34.61 2.51 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 120.515 1.507 . . . . 0.0 113.067 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.41 170.26 17.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.114 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -131.87 164.98 24.89 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 125.938 1.695 . . . . 0.0 108.383 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.58 159.9 28.68 Favored Glycine 0 CA--C 1.519 0.297 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -154.91 121.19 5.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -148.56 168.58 22.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.322 1.449 . . . . 0.0 109.262 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -138.39 135.31 35.17 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 120.755 -1.215 . . . . 0.0 110.22 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.0 m -149.68 138.96 21.35 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.529 1.132 . . . . 0.0 109.392 177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.44 151.24 19.74 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.93 179.13 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.898 1.279 . . . . 0.0 108.123 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -97.78 -19.6 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 123.326 0.65 . . . . 0.0 110.043 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.68 150.36 31.0 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.27 87.81 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.113 0.565 . . . . 0.0 110.198 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.84 71.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.749 0.82 . . . . 0.0 111.401 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -70.84 -44.31 66.74 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.86 97.8 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.936 0.494 . . . . 0.0 110.711 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.75 -52.63 38.8 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 127.555 2.342 . . . . 0.0 110.284 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -71.01 -36.51 72.46 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -66.85 -56.34 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 119.323 0.965 . . . . 0.0 109.415 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.24 -13.09 57.5 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -57.08 -38.09 72.83 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 119.554 1.07 . . . . 0.0 109.55 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -53.53 -56.37 17.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.049 0.94 . . . . 0.0 108.983 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.45 -44.7 89.3 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.98 -54.31 48.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.965 0.802 . . . . 0.0 110.317 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -60.44 -50.53 73.21 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.46 0.704 . . . . 0.0 111.015 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -32.31 72.01 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.834 0.854 . . . . 0.0 113.164 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -83.28 -5.84 59.27 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.76 33.08 10.27 Favored Glycine 0 C--N 1.339 0.728 0 CA-C-O 118.344 -1.254 . . . . 0.0 113.527 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 t -126.66 148.09 31.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 119.348 1.574 . . . . 0.0 110.332 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -157.86 102.66 1.84 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.13 -173.06 16.03 Favored Glycine 0 C--N 1.334 0.461 0 O-C-N 122.252 -0.28 . . . . 0.0 112.462 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.16 112.71 15.4 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 127.951 2.501 . . . . 0.0 110.644 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -84.3 113.7 21.32 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.508 1.523 . . . . 0.0 111.116 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -125.36 120.47 31.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 119.293 0.951 . . . . 0.0 108.751 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -89.21 148.69 23.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -141.34 81.73 1.79 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -23.58 67.15 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -50.47 46.11 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.5 m -78.38 -14.16 59.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.087 0.403 . . . . 0.0 110.049 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 68.13 42.29 1.8 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 128.159 2.584 . . . . 0.0 111.05 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.5 p -131.96 153.91 49.83 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.92 1.288 . . . . 0.0 111.468 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -141.82 101.64 4.0 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 m -103.71 137.24 42.02 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.533 1.133 . . . . 0.0 112.812 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.1 t -101.95 110.8 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 101.553 -3.499 . . . . 0.0 101.553 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.9 m -103.37 108.62 19.93 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.523 1.129 . . . . 0.0 109.913 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.251 1.178 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.66 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.16 174.5 36.92 Favored Glycine 0 C--N 1.332 0.31 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 m -95.15 116.47 28.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.08 136.42 35.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -94.99 106.66 18.67 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 122.57 33.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.892 0.877 . . . . 0.0 108.759 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.92 121.64 64.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' A' ' 35' ' ' ALA . 6.2 mp -102.08 113.56 26.92 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.82 79.25 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.46 -179.31 52.67 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 124.428 1.013 . . . . 0.0 113.043 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -8.2 56.23 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -140.95 -21.93 0.78 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.292 0.637 . . . . 0.0 112.373 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.74 169.96 17.97 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 111.23 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -134.65 165.61 24.85 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 124.681 1.193 . . . . 0.0 112.734 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.1 159.93 30.04 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.55 118.67 5.5 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 p -142.55 165.86 26.24 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.099 0.96 . . . . 0.0 110.782 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -133.96 136.68 44.33 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -146.34 138.08 24.79 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.928 1.291 . . . . 0.0 107.96 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -97.29 141.34 30.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.6 161.32 39.43 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.186 0.594 . . . . 0.0 110.285 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.66 -44.65 98.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.539 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -146.71 165.6 29.12 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.279 1.432 . . . . 0.0 107.824 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.23 -32.93 68.79 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 117.537 -1.22 . . . . 0.0 113.468 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.19 82.78 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.953 1.251 . . . . 0.0 110.288 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 m -63.33 -36.33 83.33 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -59.17 5.13 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -51.85 -53.99 34.19 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.192 2.597 . . . . 0.0 112.998 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -56.03 -58.04 9.6 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 119.365 -0.35 . . . . 0.0 111.736 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.44 -43.39 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 C-N-CA 123.526 0.731 . . . . 0.0 109.831 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -57.65 -30.92 65.8 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 119.09 0.859 . . . . 0.0 112.419 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -61.66 -31.03 71.12 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.508 1.049 . . . . 0.0 111.049 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.94 -53.24 60.24 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -65.06 -50.91 64.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.164 0.986 . . . . 0.0 111.345 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -54.94 -54.56 41.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.34 -0.362 . . . . 0.0 111.54 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -67.36 -29.45 68.99 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.112 0.415 . . . . 0.0 111.946 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.6 -22.35 62.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.106 0.866 . . . . 0.0 110.135 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -100.53 2.27 41.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.33 1.452 . . . . 0.0 111.728 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.99 26.79 52.28 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 121.06 -1.025 . . . . 0.0 114.685 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.1 t -120.84 120.97 63.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 118.695 1.247 . . . . 0.0 107.873 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -155.43 98.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.65 -156.08 8.29 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 125.43 1.49 . . . . 0.0 110.59 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.6 126.52 30.85 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -96.16 113.39 24.99 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.609 1.163 . . . . 0.0 110.852 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.5 m -132.97 141.46 48.32 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -122.24 150.45 42.28 Favored 'General case' 0 C--N 1.334 -0.092 0 C-N-CA 126.614 1.966 . . . . 0.0 111.535 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -134.26 124.62 26.2 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -33.6 64.41 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.022 -1.049 . . . . 0.0 113.126 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.2 81.19 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.685 1.129 . . . . 0.0 111.158 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -94.99 -13.75 24.99 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.623 1.169 . . . . 0.0 111.615 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 60.15 26.98 16.41 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.108 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.4 p -91.25 154.84 18.99 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.257 1.423 . . . . 0.0 109.998 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.52 102.5 4.34 Favored 'General case' 0 N--CA 1.44 -0.953 1 N-CA-C 99.355 -4.313 . . . . 0.0 99.355 177.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -114.6 135.61 53.94 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.0 t -110.13 105.66 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 m -107.75 117.54 34.37 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.249 1.032 0 C-N-CA 125.822 1.649 . . . . 0.0 108.426 -179.385 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.43 160.36 15.08 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 125.141 1.353 . . . . 0.0 110.736 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m -119.53 104.06 9.98 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -94.42 109.92 21.74 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -74.12 118.08 16.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.81 126.33 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 124.819 1.247 . . . . 0.0 110.624 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.74 128.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -106.34 119.69 39.92 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -127.54 83.07 2.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.07 -178.78 47.33 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.772 0.701 . . . . 0.0 114.016 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -12.99 56.41 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 118.663 -0.684 . . . . 0.0 112.382 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.41 -17.48 1.53 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.862 0.756 . . . . 0.0 112.865 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 167.84 23.51 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.182 0.993 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -134.81 165.89 24.25 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 125.142 1.377 . . . . 0.0 108.319 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -157.47 163.45 32.53 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -149.65 119.54 7.12 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -140.96 176.01 9.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.615 1.566 . . . . 0.0 108.538 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 t -158.92 136.46 10.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.636 -1.915 . . . . 0.0 110.035 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.8 m -149.38 140.66 23.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.413 2.285 . . . . 0.0 108.891 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.62 149.42 24.31 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.962 1.255 . . . . 0.0 109.841 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.28 42.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.176 1.391 . . . . 0.0 111.467 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.05 -43.76 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 122.751 0.42 . . . . 0.0 109.911 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.52 165.17 27.55 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 125.227 1.411 . . . . 0.0 109.335 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.4 91.06 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.08 65.25 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.422 1.01 . . . . 0.0 112.361 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.0 m -68.57 -48.88 63.08 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.99 -44.92 94.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.77 0.828 . . . . 0.0 112.502 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -53.74 -54.26 40.54 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 127.462 2.305 . . . . 0.0 110.346 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -57.22 -49.64 75.38 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.124 0.57 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.76 -56.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 124.3 1.04 . . . . 0.0 111.06 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.46 -12.08 61.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -56.05 -33.51 65.03 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.337 1.426 . . . . 0.0 109.791 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.98 -58.08 9.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.198 1.399 . . . . 0.0 109.526 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -39.22 91.89 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 124.573 1.149 . . . . 0.0 110.844 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.8 -52.67 64.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.709 0.686 . . . . 0.0 110.018 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.2 -45.52 91.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.15 -36.28 77.19 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.666 0.786 . . . . 0.0 112.468 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -81.95 -5.28 58.18 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.578 0.751 . . . . 0.0 111.639 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.72 32.69 10.88 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 117.667 -1.63 . . . . 0.0 116.262 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.7 t -125.48 146.31 31.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 120.736 2.268 . . . . 0.0 110.469 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -156.04 98.77 1.91 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 106.425 -1.695 . . . . 0.0 106.425 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.24 -176.29 17.14 Favored Glycine 0 C--N 1.331 0.258 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.82 105.55 2.82 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.962 0.505 . . . . 0.0 110.158 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -68.2 104.21 1.76 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.985 1.314 . . . . 0.0 108.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 m -120.16 119.72 34.09 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -94.56 150.51 20.17 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.215 1.406 . . . . 0.0 110.631 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -137.46 83.19 1.97 Allowed 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -21.16 66.62 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.323 -0.861 . . . . 0.0 110.945 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.4 -59.29 4.18 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.15 0.886 . . . . 0.0 109.486 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -83.0 2.69 33.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.86 0.864 . . . . 0.0 111.154 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 54.66 50.76 15.2 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.947 1.699 . . . . 0.0 110.425 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -131.9 154.65 49.01 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.804 1.642 . . . . 0.0 109.045 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -148.01 102.43 3.39 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 m -106.57 136.36 46.48 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -106.65 102.8 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.4 m -105.48 109.55 21.56 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.396 1.079 . . . . 0.0 109.5 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.402 1.481 . . . . 0.0 112.042 -179.252 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.667 0.746 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.18 167.68 20.34 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 127.669 2.557 . . . . 0.0 108.467 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 m -113.21 140.67 47.75 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -143.71 96.18 2.86 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -74.05 131.2 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.324 1.049 . . . . 0.0 108.439 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.76 134.64 33.63 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.499 0.719 . . . . 0.0 110.07 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.64 103.74 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 105.148 -2.168 . . . . 0.0 105.148 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -83.64 117.86 23.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.46 78.98 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.19 179.78 49.61 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 124.527 1.061 . . . . 0.0 112.887 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -2.27 58.31 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.898 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.3 m -139.13 -25.98 0.85 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.632 0.651 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.23 168.91 20.53 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.211 1.404 . . . . 0.0 111.291 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -137.28 166.31 24.08 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.306 1.442 . . . . 0.0 111.028 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.42 157.34 28.72 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -143.77 118.77 10.02 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.054 0.942 . . . . 0.0 109.138 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -138.71 172.38 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.762 1.625 . . . . 0.0 108.542 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 t -143.69 134.49 25.22 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.837 -1.164 . . . . 0.0 109.738 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m -150.44 138.42 20.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.273 1.829 . . . . 0.0 110.952 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -94.3 156.59 16.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.239 1.016 . . . . 0.0 109.554 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.4 166.34 31.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.503 1.521 . . . . 0.0 109.278 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 p -78.74 -27.61 13.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 O-C-N 121.213 -0.929 . . . . 0.0 111.29 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.32 154.77 42.05 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.212 1.005 . . . . 0.0 110.226 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.01 -32.85 72.43 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.735 0.647 . . . . 0.0 109.654 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.8 75.49 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.223 -0.923 . . . . 0.0 111.647 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 m -69.89 -43.8 71.04 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.78 83.25 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -57.68 -46.15 84.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.665 1.186 . . . . 0.0 110.43 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.52 -45.94 92.1 Favored 'General case' 0 CA--C 1.528 0.124 0 O-C-N 121.232 -0.917 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.5 t -69.76 -56.72 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.621 0.768 . . . . 0.0 111.864 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -60.93 -30.32 70.14 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -62.02 -29.48 70.31 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.504 1.047 . . . . 0.0 112.216 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -64.15 -57.69 8.82 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.88 -48.08 73.45 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.229 1.811 . . . . 0.0 112.366 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.01 -53.32 59.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.626 0.648 . . . . 0.0 109.923 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -60.62 -42.85 97.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.25 -17.53 64.8 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.118 0.567 . . . . 0.0 112.143 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -99.58 -4.66 30.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.836 1.654 . . . . 0.0 111.704 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.45 28.15 25.49 Favored Glycine 0 CA--C 1.526 0.755 0 O-C-N 120.754 -1.216 . . . . 0.0 113.757 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.76 145.08 34.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -167.61 99.07 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 -160.73 9.83 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-O 121.852 0.696 . . . . 0.0 112.258 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -78.18 105.53 9.47 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.24 1.016 . . . . 0.0 108.84 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -72.99 106.98 5.1 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 126.688 1.995 . . . . 0.0 110.79 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -125.09 139.54 53.69 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -130.84 149.47 52.46 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.654 1.181 . . . . 0.0 111.201 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -141.66 110.08 5.99 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.85 -20.12 63.43 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.75 -54.79 10.41 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.376 0.989 . . . . 0.0 108.859 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 m -78.6 -13.15 59.97 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.0 2.12 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mttp 59.61 53.63 4.92 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.069 1.748 . . . . 0.0 108.511 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 p -131.99 153.95 49.83 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.995 0.918 . . . . 0.0 110.887 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.72 102.71 4.09 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 178.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.4 m -107.2 136.48 46.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.991 0.916 . . . . 0.0 110.862 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.6 t -110.96 96.4 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 102.344 -3.206 . . . . 0.0 102.344 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 m -100.84 134.21 44.16 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.809 0.444 . . . . 0.0 111.383 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 C--O 1.246 0.879 0 C-N-CA 127.593 2.357 . . . . 0.0 107.229 179.028 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpt . . . . . 0 N--CA 1.47 0.551 0 CA-C-O 120.244 0.069 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.71 144.22 16.29 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -98.22 145.79 26.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -127.92 100.39 5.89 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -74.55 135.26 42.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -110.28 126.29 54.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.682 0.674 . . . . 0.0 110.21 -178.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.61 107.26 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 tp -85.99 113.57 22.19 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.054 -2.202 . . . . 0.0 105.054 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.38 79.9 1.79 Allowed 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.2 174.43 43.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.265 -0.88 . . . . 0.0 114.768 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.61 -10.32 59.7 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 117.969 -1.015 . . . . 0.0 113.709 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -134.67 -24.65 1.51 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.967 0.803 . . . . 0.0 112.182 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.39 26.84 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.628 1.104 . . . . 0.0 110.921 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -134.81 166.61 22.59 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 125.363 1.465 . . . . 0.0 111.547 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.44 163.05 34.31 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -146.26 119.07 8.65 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -142.16 -179.55 6.31 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.908 1.683 . . . . 0.0 107.93 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 t -158.72 137.52 11.16 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 119.996 -1.69 . . . . 0.0 108.292 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -148.25 139.06 23.04 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 125.774 1.63 . . . . 0.0 107.454 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -91.53 145.89 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.09 149.52 24.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.296 1.039 . . . . 0.0 109.021 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.79 -24.72 36.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 124.501 1.12 . . . . 0.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -151.84 157.94 42.59 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 119.342 0.974 . . . . 0.0 111.095 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.95 81.18 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.832 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.49 88.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.073 0.851 . . . . 0.0 110.702 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.1 m -69.1 -46.87 66.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.39 -46.47 73.09 Favored 'General case' 0 C--N 1.341 0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -58.12 -55.13 38.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.147 1.779 . . . . 0.0 110.781 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.28 -36.84 85.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 119.638 1.108 . . . . 0.0 112.39 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.4 -55.98 18.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' A' ' 6' ' ' LEU . 16.9 m-85 -61.48 -23.75 66.11 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -56.47 -29.62 61.94 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 118.438 0.563 . . . . 0.0 110.892 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.98 -58.61 6.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.962 0.505 . . . . 0.0 110.074 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -59.24 -32.95 70.44 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.042 0.537 . . . . 0.0 112.055 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.01 16.28 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 118.881 0.764 . . . . 0.0 110.08 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -67.37 -30.58 70.41 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 119.354 -0.939 . . . . 0.0 111.31 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.2 -25.92 64.57 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.689 0.795 . . . . 0.0 112.365 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -101.78 -14.79 17.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.818 0.847 . . . . 0.0 113.265 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.96 31.17 4.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.181 0.832 . . . . 0.0 115.181 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 49.8 t -127.59 139.81 50.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 118.238 1.019 . . . . 0.0 110.085 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -167.87 98.41 0.46 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.126 2.171 . . . . 0.0 105.896 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.46 -165.68 10.62 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 126.33 1.919 . . . . 0.0 109.219 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.33 125.74 27.65 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' CE3' HG22 ' A' ' 55' ' ' VAL . 75.5 m95 -98.57 123.13 42.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.089 1.356 . . . . 0.0 110.866 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -138.45 147.2 43.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.373 0.988 . . . . 0.0 108.958 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -120.79 150.46 40.97 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.743 1.217 . . . . 0.0 111.209 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -133.94 94.56 3.28 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.605 2.362 . . . . 0.0 106.766 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -21.85 66.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.888 -0.508 . . . . 0.0 111.232 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -59.03 6.04 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.478 -0.764 . . . . 0.0 109.539 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -85.23 -4.63 59.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.977 1.311 . . . . 0.0 109.839 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.5 mttp 61.15 43.13 11.41 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 126.605 1.962 . . . . 0.0 109.411 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 p -117.34 154.03 31.99 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 110.78 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.15 127.86 29.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -127.0 137.41 53.08 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.256 0.622 . . . . 0.0 111.816 -177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' CE3' ' A' ' 44' ' ' TRP . 3.9 t -112.59 112.05 38.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 102.149 -3.278 . . . . 0.0 102.149 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.8 m -114.22 107.79 16.08 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.811 0.695 . . . . 0.0 111.42 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.253 1.285 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.304 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 ttt . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.89 169.97 35.95 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -96.15 113.41 25.01 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -94.57 165.59 12.45 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.678 0.752 . . . . 0.0 112.18 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -123.06 107.84 12.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 127.371 2.268 . . . . 0.0 106.424 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.72 117.5 23.27 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -109.91 98.23 6.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 102.983 -2.969 . . . . 0.0 102.983 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.9 112.99 18.79 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -120.21 80.53 1.62 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.92 1.288 . . . . 0.0 109.298 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.32 177.44 52.87 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-O 121.855 0.697 . . . . 0.0 112.977 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -86.2 -9.97 55.57 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.811 1.245 . . . . 0.0 112.806 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.97 -22.72 1.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.402 0.681 . . . . 0.0 112.656 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.61 169.9 18.65 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.372 1.469 . . . . 0.0 110.126 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -140.66 166.5 24.59 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.23 1.412 . . . . 0.0 109.834 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.33 162.35 33.73 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.299 -1.521 . . . . 0.0 109.299 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.76 119.7 7.65 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 121.643 -0.916 . . . . 0.0 108.704 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -138.96 163.62 31.88 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.759 1.224 . . . . 0.0 109.518 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.7 p -130.67 135.25 47.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 120.924 -1.11 . . . . 0.0 109.858 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -150.08 138.68 20.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.602 1.561 . . . . 0.0 108.143 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -97.69 156.17 16.67 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 119.464 1.029 . . . . 0.0 110.564 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.13 166.15 30.33 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.983 0.913 . . . . 0.0 110.9 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -63.36 -40.01 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.53 166.12 32.15 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.852 0.861 . . . . 0.0 111.178 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.58 64.17 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.671 1.988 . . . . 0.0 112.058 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.33 -40.34 67.92 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.518 0.599 . . . . 0.0 112.015 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -70.68 -42.54 70.57 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.52 -49.86 76.13 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.106 0.866 . . . . 0.0 109.635 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -52.61 -45.52 66.59 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.116 2.167 . . . . 0.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -69.65 -47.91 61.69 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.645 1.578 . . . . 0.0 112.403 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.02 -52.98 53.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.74 -18.12 63.71 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -58.14 -31.71 67.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 120.115 1.325 . . . . 0.0 109.853 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -63.68 -38.13 89.96 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.623 1.569 . . . . 0.0 112.536 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.69 -54.96 38.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.068 0.849 . . . . 0.0 111.374 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.21 -35.26 76.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.581 0.628 . . . . 0.0 110.909 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.77 -9.53 44.91 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.617 1.167 . . . . 0.0 111.686 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -115.1 -1.56 12.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.525 1.53 . . . . 0.0 111.162 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.29 27.07 31.55 Favored Glycine 0 C--N 1.34 0.805 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -126.44 142.14 43.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 119.711 1.756 . . . . 0.0 110.635 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -156.04 98.42 1.88 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.65 -170.94 12.02 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -74.92 111.48 10.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.398 0.679 . . . . 0.0 110.497 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -78.81 100.37 7.12 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.302 1.841 . . . . 0.0 109.646 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.3 m -125.31 136.3 53.35 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 124.352 1.061 . . . . 0.0 109.449 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -119.29 150.48 40.05 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -122.22 102.85 8.38 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.999 2.12 . . . . 0.0 105.432 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.23 -27.58 68.08 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.85 -1.156 . . . . 0.0 112.871 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.93 77.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 118.544 0.611 . . . . 0.0 111.316 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -108.08 -3.9 18.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.469 1.908 . . . . 0.0 111.086 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm 53.64 29.57 9.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.85 1.66 . . . . 0.0 111.966 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 p -97.6 153.18 18.36 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.633 1.173 . . . . 0.0 107.899 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.59 102.18 4.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.8 m -96.91 137.15 36.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 111.513 -177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.85 98.02 6.29 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 N-CA-C 103.203 -2.888 . . . . 0.0 103.203 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 84.3 m -102.29 109.59 21.31 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.157 0.983 . . . . 0.0 110.304 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 . . . . . 0 C--O 1.248 0.996 0 C-N-CA 124.464 1.106 . . . . 0.0 110.139 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttm . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.72 174.03 36.51 Favored Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.1 m -94.72 113.81 25.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -94.38 149.81 20.88 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -126.32 105.29 8.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -97.22 111.8 23.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.675 0.79 . . . . 0.0 108.882 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.57 141.35 19.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.33 123.85 47.57 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -123.74 88.88 2.99 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.51 153.12 17.41 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 123.351 0.5 . . . . 0.0 112.616 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.37 5.28 0.07 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.791 2.436 . . . . 0.0 115.659 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.4 m -140.83 -35.66 0.48 Allowed 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.341 1.056 . . . . 0.0 111.472 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 164.91 31.49 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.022 0.929 . . . . 0.0 111.71 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -134.49 166.03 23.82 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.947 1.299 . . . . 0.0 108.652 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.8 164.4 34.67 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.29 119.45 5.89 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.8 p -133.58 160.42 37.55 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.335 1.054 . . . . 0.0 109.872 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.0 p -133.21 136.27 45.53 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 119.082 0.856 . . . . 0.0 110.444 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.8 m -148.5 138.66 22.46 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.752 -1.218 . . . . 0.0 109.052 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.48 140.39 37.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.893 0.77 . . . . 0.0 109.836 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 164.52 38.33 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.665 0.786 . . . . 0.0 111.247 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.85 -21.42 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.183 1.393 . . . . 0.0 111.135 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.38 142.0 27.76 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -31.81 69.88 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.819 1.247 . . . . 0.0 111.728 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.8 86.93 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.332 0.653 . . . . 0.0 110.161 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -31.84 72.87 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.16 0.984 . . . . 0.0 110.091 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.75 21.56 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.11 -50.43 69.25 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.377 1.871 . . . . 0.0 112.311 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -53.63 -39.25 64.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.409 0.549 . . . . 0.0 112.342 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.83 -53.8 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.092 0.86 . . . . 0.0 109.176 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -58.75 -23.93 60.77 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -52.65 -43.6 65.61 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.129 0.877 . . . . 0.0 112.658 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.14 -57.71 11.86 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.415 1.086 . . . . 0.0 108.901 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -52.27 -52.85 50.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 111.312 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.23 -54.04 51.29 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.685 0.675 . . . . 0.0 111.508 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -50.21 74.84 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.901 0.88 . . . . 0.0 112.16 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.41 -38.65 84.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.981 1.312 . . . . 0.0 112.257 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -78.39 0.19 26.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.132 0.973 . . . . 0.0 112.862 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.38 22.88 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.426 -0.652 . . . . 0.0 114.487 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.23 153.36 24.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 118.858 1.329 . . . . 0.0 109.454 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -162.31 168.01 22.93 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.142 2.177 . . . . 0.0 107.143 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.42 -166.05 31.57 Favored Glycine 0 CA--C 1.518 0.252 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -84.81 139.29 32.03 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -103.42 99.55 9.38 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 122.03 0.919 . . . . 0.0 109.504 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m -118.09 128.97 55.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 127.247 2.219 . . . . 0.0 107.071 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -116.49 149.1 40.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.199 1.4 . . . . 0.0 110.083 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -133.98 95.95 3.54 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -23.14 59.38 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.704 -0.623 . . . . 0.0 111.073 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 -58.51 3.84 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.501 1.121 . . . . 0.0 108.605 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.6 m -77.3 -13.13 59.99 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm 61.57 51.55 4.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.876 2.071 . . . . 0.0 111.666 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 p -132.47 152.14 51.63 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 126.091 1.756 . . . . 0.0 109.765 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.62 107.6 3.87 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 104.434 -2.432 . . . . 0.0 104.434 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -128.47 125.69 38.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 119.591 1.087 . . . . 0.0 110.79 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 t -83.59 110.88 18.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.7 m -123.5 127.91 49.04 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.429 1.092 . . . . 0.0 109.17 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.287 1.435 . . . . 0.0 107.879 178.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -57.89 126.25 41.74 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.1 m -95.43 117.92 31.23 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -94.09 120.3 34.14 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -74.37 124.81 27.19 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -97.04 119.04 34.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mp -118.34 108.51 24.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 102.65 -3.093 . . . . 0.0 102.65 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 tp -94.95 113.58 25.31 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.284 1.433 . . . . 0.0 107.725 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.01 86.13 2.49 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 125.466 1.507 . . . . 0.0 108.914 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.64 -169.61 46.07 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.94 0.781 . . . . 0.0 112.579 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -6.8 32.51 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.7 m -141.64 -17.4 0.78 Allowed 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.938 -1.102 . . . . 0.0 112.325 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 166.08 27.95 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.756 1.623 . . . . 0.0 109.434 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -136.59 166.06 24.42 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.059 1.344 . . . . 0.0 108.972 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.84 156.96 27.26 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 109.769 -1.333 . . . . 0.0 109.769 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -147.42 118.26 7.61 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -140.95 175.69 9.41 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 124.741 1.217 . . . . 0.0 110.226 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 p -145.24 135.32 23.83 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 121.267 -0.896 . . . . 0.0 109.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.6 m -149.76 138.98 21.29 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.418 1.487 . . . . 0.0 107.791 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.39 147.72 26.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.77 179.04 9.46 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 126.051 1.74 . . . . 0.0 109.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -66.0 -44.31 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.453 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -151.57 176.5 11.28 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.529 1.059 . . . . 0.0 110.098 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.47 62.27 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 125.751 1.62 . . . . 0.0 113.253 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.7 73.92 Favored 'General case' 0 N--CA 1.46 0.061 0 CA-C-N 119.618 1.099 . . . . 0.0 111.865 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.8 m -65.48 -35.81 81.99 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.564 -0.71 . . . . 0.0 110.316 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.02 -50.78 63.03 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.856 0.753 . . . . 0.0 109.284 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.41 -54.09 41.88 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 128.126 2.57 . . . . 0.0 111.085 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -65.07 -53.46 45.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.718 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -56.78 -53.65 39.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 118.654 -0.689 . . . . 0.0 110.711 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.08 -13.42 61.91 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 117.186 -1.388 . . . . 0.0 113.381 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -58.1 -32.82 68.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 121.041 1.746 . . . . 0.0 109.384 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.81 -58.21 9.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -59.92 -46.88 87.96 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.579 1.152 . . . . 0.0 110.951 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -54.92 39.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.955 0.502 . . . . 0.0 111.171 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.06 -29.51 67.66 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.24 -21.43 61.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.969 0.907 . . . . 0.0 109.925 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -95.15 -1.64 51.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.334 1.854 . . . . 0.0 109.422 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.55 28.79 42.03 Favored Glycine 0 C--N 1.34 0.795 0 O-C-N 120.753 -1.217 . . . . 0.0 114.699 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.3 t -126.36 127.02 70.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 118.617 1.208 . . . . 0.0 110.28 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -150.9 97.53 2.48 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.44 -156.95 8.4 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 124.347 0.975 . . . . 0.0 111.321 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.42 113.01 19.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 124.977 1.311 . . . . 0.0 110.243 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -88.52 104.89 17.24 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.15 1.78 . . . . 0.0 109.76 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 120.48 32.19 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 122.16 0.981 . . . . 0.0 110.213 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -93.26 150.55 20.41 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.109 1.764 . . . . 0.0 111.408 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -136.33 94.41 3.02 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -34.79 78.74 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.649 -0.657 . . . . 0.0 111.793 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -51.73 66.25 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.303 1.041 . . . . 0.0 109.865 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.2 m -80.84 -13.95 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.052 0.941 . . . . 0.0 110.656 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . 0.256 9.4 ttmt 57.61 51.95 8.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.835 2.854 . . . . 0.0 110.76 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -132.48 154.38 49.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 109.221 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.9 101.67 3.45 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 m -101.62 137.31 40.1 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.955 0.902 . . . . 0.0 112.801 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.4 t -109.78 103.52 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 103.906 -2.627 . . . . 0.0 103.906 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -112.62 109.18 18.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 118.724 0.693 . . . . 0.0 109.54 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 . . . . . 0 C--O 1.248 0.983 0 C-N-CA 126.239 1.815 . . . . 0.0 107.536 178.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtp . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.79 163.24 32.11 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.604 -0.999 . . . . 0.0 110.604 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 m -95.66 104.39 16.31 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -94.64 97.21 9.94 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.9 0.857 . . . . 0.0 109.741 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -79.43 110.16 14.47 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 105.777 -1.935 . . . . 0.0 105.777 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -86.62 129.52 34.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.516 1.127 . . . . 0.0 110.927 -179.189 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.29 123.97 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 126.374 1.869 . . . . 0.0 106.764 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.67 113.89 25.73 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -119.02 80.0 1.48 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 104.923 -2.251 . . . . 0.0 104.923 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.28 -175.66 48.84 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 124.221 0.915 . . . . 0.0 114.125 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.85 -3.25 49.21 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.906 1.282 . . . . 0.0 112.809 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -141.33 -25.78 0.71 Allowed 'General case' 0 CA--C 1.532 0.267 0 O-C-N 120.799 -1.188 . . . . 0.0 112.361 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.57 169.42 19.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.287 1.435 . . . . 0.0 110.002 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -139.51 165.67 26.61 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.723 1.609 . . . . 0.0 108.464 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.75 161.75 33.49 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -147.08 119.04 8.15 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.817 0.809 . . . . 0.0 109.161 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 p -133.88 171.13 14.6 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.159 1.783 . . . . 0.0 109.127 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -157.17 137.42 12.79 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 120.386 -1.446 . . . . 0.0 111.192 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.7 m -148.52 138.25 22.17 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 126.445 1.898 . . . . 0.0 107.795 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -89.41 138.58 31.32 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.132 0.878 . . . . 0.0 108.811 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.98 172.45 12.67 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 111.359 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.09 -43.5 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.113 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.61 161.7 36.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.664 0.785 . . . . 0.0 109.912 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.26 81.59 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.041 0.937 . . . . 0.0 110.541 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.26 -27.66 66.01 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -71.13 -49.44 44.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.05 82.41 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.696 0.798 . . . . 0.0 111.122 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -55.13 -54.77 39.02 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 126.772 2.029 . . . . 0.0 110.541 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -71.19 -35.65 71.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.9 t -70.51 -56.27 11.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 119.097 0.862 . . . . 0.0 109.997 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -68.59 -10.23 54.63 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.93 -37.66 61.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.959 1.254 . . . . 0.0 109.544 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -51.08 -56.91 10.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.918 1.687 . . . . 0.0 109.27 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -32.08 73.59 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.411 1.484 . . . . 0.0 113.771 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.38 -54.6 34.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 119.063 0.847 . . . . 0.0 109.545 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -66.25 -35.53 80.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.009 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.77 -13.21 58.96 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.725 -0.61 . . . . 0.0 112.318 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -111.12 1.91 17.57 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.517 1.127 . . . . 0.0 111.834 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.03 26.72 43.57 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.901 0.773 . . . . 0.0 113.995 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.2 t -119.75 139.76 46.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 118.703 1.252 . . . . 0.0 110.975 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -157.06 98.28 1.73 Allowed 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.54 -168.63 11.34 Favored Glycine 0 C--N 1.331 0.259 0 O-C-N 121.903 -0.498 . . . . 0.0 112.912 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -77.0 104.78 7.68 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.41 0.684 . . . . 0.0 110.308 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -72.59 116.93 13.65 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.473 1.509 . . . . 0.0 107.869 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -134.56 138.76 44.87 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.356 1.062 . . . . 0.0 108.276 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -107.54 150.3 27.0 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.719 1.608 . . . . 0.0 113.12 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -131.27 102.28 5.91 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.858 2.463 . . . . 0.0 105.755 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.64 -25.21 60.18 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.5 -56.2 5.1 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 123.302 0.641 . . . . 0.0 109.757 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -78.67 -11.96 60.0 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.786 0.834 . . . . 0.0 110.387 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 58.91 57.48 3.58 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.656 1.982 . . . . 0.0 109.729 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.68 154.74 49.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 125.563 1.545 . . . . 0.0 110.022 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.558 ' HB3' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -135.61 118.07 15.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 102.099 -3.297 . . . . 0.0 102.099 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.9 m -120.38 136.23 54.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.776 0.716 . . . . 0.0 111.102 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 36.5 t -110.22 101.45 12.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 105.047 -2.205 . . . . 0.0 105.047 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.0 m -100.18 110.04 22.3 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.947 1.299 . . . . 0.0 110.626 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 125.562 1.545 . . . . 0.0 112.379 -179.153 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.21 174.9 37.02 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -96.52 104.19 16.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -94.2 115.68 27.98 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -74.42 127.12 32.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.13 128.59 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.19 124.54 68.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.02 113.17 25.22 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -118.33 79.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.77 173.3 47.14 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 -3.09 58.85 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -136.92 -25.19 1.1 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.898 0.879 . . . . 0.0 111.999 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 170.13 18.22 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 125.425 1.49 . . . . 0.0 110.332 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -137.53 166.27 24.28 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.823 1.249 . . . . 0.0 110.925 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.78 162.18 31.48 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -151.56 119.06 6.03 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.001 0.901 . . . . 0.0 109.523 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.8 p -141.55 -179.51 6.2 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.628 1.571 . . . . 0.0 109.056 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -158.84 136.14 9.95 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 119.899 -1.75 . . . . 0.0 108.205 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -149.01 139.0 22.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.366 1.466 . . . . 0.0 109.793 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -94.55 142.05 27.89 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.17 167.58 23.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 122.783 0.433 . . . . 0.0 110.647 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.86 -38.38 81.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 118.714 -0.66 . . . . 0.0 110.488 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -152.17 166.43 31.71 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.086 0.857 . . . . 0.0 109.661 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.51 75.06 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 125.133 1.373 . . . . 0.0 112.114 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.95 80.24 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.497 0.719 . . . . 0.0 110.817 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 m -65.52 -48.96 70.72 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.09 77.13 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.242 0.617 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.45 -54.55 38.42 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.973 1.709 . . . . 0.0 110.249 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.19 -41.67 89.05 Favored 'General case' 0 C--O 1.232 0.142 0 O-C-N 121.742 -0.598 . . . . 0.0 112.258 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.09 -56.06 14.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.51 -14.52 51.88 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -62.99 -22.28 66.73 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.362 1.437 . . . . 0.0 109.301 177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -61.91 -58.06 9.37 Favored 'General case' 0 C--N 1.344 0.342 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -55.94 -45.23 78.87 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 126.773 2.029 . . . . 0.0 111.662 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.84 -54.37 47.64 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 119.117 0.871 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -61.43 -40.45 94.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.385 0.674 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.78 -9.82 59.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 128.058 2.543 . . . . 0.0 113.523 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -111.65 -4.34 14.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.743 0.817 . . . . 0.0 112.002 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.18 30.33 17.24 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 118.52 -1.156 . . . . 0.0 114.705 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -126.9 147.62 31.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.174 1.487 . . . . 0.0 108.801 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -158.19 98.42 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.44 -179.12 17.25 Favored Glycine 0 C--O 1.227 -0.306 0 O-C-N 121.817 -0.552 . . . . 0.0 112.787 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -69.71 105.18 2.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 121.339 0.59 . . . . 0.0 110.87 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -67.37 107.64 2.49 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.39 1.476 . . . . 0.0 107.825 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 m -125.42 154.03 42.57 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -129.52 150.1 51.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.494 1.118 . . . . 0.0 111.687 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -131.94 105.43 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 126.257 1.823 . . . . 0.0 106.251 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.0 -19.52 62.51 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.24 -52.36 7.82 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.6 m -78.78 -14.29 59.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.269 0.628 . . . . 0.0 109.992 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 60.15 54.59 4.01 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.934 2.094 . . . . 0.0 109.615 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.8 p -132.65 154.17 50.37 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.176 1.39 . . . . 0.0 112.096 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -132.65 109.55 9.8 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 102.818 -3.03 . . . . 0.0 102.818 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 m -113.55 136.18 53.09 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -99.71 98.97 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 101.3 -3.593 . . . . 0.0 101.3 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.0 m -101.35 99.94 10.36 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.247 0.94 0 C-N-CA 124.688 1.195 . . . . 0.0 110.566 -179.706 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.71 174.68 15.85 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 109.143 -1.583 . . . . 0.0 109.143 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.8 m -141.76 104.19 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -94.59 128.94 41.56 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -86.57 103.32 14.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.163 1.785 . . . . 0.0 106.993 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.03 116.54 26.27 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.36 116.59 52.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 35' ' ' ALA . 2.6 mp -84.35 113.67 21.32 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 104.702 -2.333 . . . . 0.0 104.702 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.89 80.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.5 159.71 29.77 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -5.15 39.18 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.064 0.932 . . . . 0.0 113.29 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 m -127.55 -33.44 2.32 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.407 0.683 . . . . 0.0 112.563 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.64 165.3 29.98 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 124.78 1.232 . . . . 0.0 109.784 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -139.36 165.57 26.86 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.175 0.99 . . . . 0.0 112.425 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.71 164.89 32.85 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.21 119.58 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.6 p -136.12 171.83 13.9 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 123.966 0.906 . . . . 0.0 109.838 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 p -139.68 136.59 34.4 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.066 0.946 . . . . 0.0 108.622 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -149.32 138.32 21.28 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -94.27 142.23 27.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.476 0.71 . . . . 0.0 109.111 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.38 168.41 25.28 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.712 1.205 . . . . 0.0 111.22 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.02 -20.09 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.816 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.32 152.9 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.872 1.215 . . . . 0.0 112.16 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.54 98.98 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.009 0.924 . . . . 0.0 109.077 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.67 93.61 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.217 1.007 . . . . 0.0 110.043 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.9 m -59.17 -48.9 79.92 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.351 -0.843 . . . . 0.0 108.893 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.69 -47.87 78.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.598 0.359 . . . . 0.0 110.652 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.89 -54.17 50.08 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.663 1.585 . . . . 0.0 111.617 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -56.14 -48.44 76.26 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.524 0.73 . . . . 0.0 110.803 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.0 t -64.63 -55.18 22.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 122.758 0.423 . . . . 0.0 109.873 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.2 -13.75 30.88 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 117.445 -1.264 . . . . 0.0 114.393 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -59.42 -28.57 67.05 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 120.993 1.724 . . . . 0.0 109.735 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -59.91 -58.56 8.01 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -42.63 84.38 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.787 1.635 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -58.78 -55.02 40.53 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.93 0.332 . . . . 0.0 110.723 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -72.99 -29.89 63.38 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -63.74 -28.44 69.88 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.761 1.224 . . . . 0.0 109.481 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -95.69 -2.82 47.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.16 1.384 . . . . 0.0 112.036 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 31.15 25.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.17 -0.956 . . . . 0.0 114.266 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.56 119.08 57.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 119.244 1.522 . . . . 0.0 109.614 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -146.72 97.06 2.85 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.02 -163.88 11.56 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.74 117.38 20.58 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -84.9 133.13 34.3 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.87 1.268 . . . . 0.0 111.081 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.3 m -144.4 142.8 30.58 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -118.02 149.22 41.32 Favored 'General case' 0 C--O 1.228 -0.041 0 C-N-CA 126.636 1.974 . . . . 0.0 111.424 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -141.54 93.54 2.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -24.16 67.37 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.513 -0.742 . . . . 0.0 111.92 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.56 70.64 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.585 1.154 . . . . 0.0 112.683 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -119.91 2.63 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.915 2.086 . . . . 0.0 110.243 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 mttt 55.89 23.32 6.44 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.088 2.155 . . . . 0.0 110.796 -178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 p -80.89 149.3 29.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.02 107.64 3.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.1 m -118.69 136.19 54.07 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 122.032 -0.417 . . . . 0.0 110.053 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -102.77 96.53 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 100.387 -3.931 . . . . 0.0 100.387 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 m -93.29 108.77 20.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.84 0.829 . . . . 0.0 111.362 -178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 . . . . . 0 C--O 1.251 1.145 0 N-CA-C 104.041 -2.578 . . . . 0.0 104.041 178.414 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.01 175.53 37.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 126.156 1.836 . . . . 0.0 109.838 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -95.35 114.13 25.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.331 1.453 . . . . 0.0 109.388 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -94.81 121.54 36.51 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -76.31 106.36 7.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.39 115.62 21.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.98 123.28 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -99.42 113.36 25.66 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -121.06 79.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.32 176.9 40.64 Favored Glycine 0 C--O 1.238 0.386 0 CA-C-O 122.792 1.218 . . . . 0.0 114.863 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -15.64 56.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.191 -1.504 . . . . 0.0 112.911 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.8 m -134.81 -25.77 1.4 Allowed 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 169.79 18.57 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.641 1.176 . . . . 0.0 110.446 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -135.26 166.84 22.19 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.19 1.396 . . . . 0.0 110.784 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.29 160.03 29.86 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -152.3 118.52 5.55 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -141.33 170.44 15.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.431 1.092 . . . . 0.0 109.9 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -142.83 135.63 27.94 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.71 -1.244 . . . . 0.0 109.138 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -150.26 138.42 20.3 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.647 1.179 . . . . 0.0 109.869 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.08 144.72 25.24 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.9 168.3 23.39 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.5 -41.08 90.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.486 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.56 170.44 21.97 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.196 0.907 . . . . 0.0 109.848 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.14 -39.07 63.24 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 125.259 1.423 . . . . 0.0 112.437 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.93 66.32 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.773 1.229 . . . . 0.0 111.518 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 m -76.04 -49.21 18.18 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.37 -49.51 64.25 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.578 0.751 . . . . 0.0 111.425 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -55.09 -54.85 37.92 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.491 1.917 . . . . 0.0 111.415 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -74.68 -29.57 61.27 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.14 -56.32 13.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 120.045 1.293 . . . . 0.0 108.194 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -69.08 -12.08 61.37 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 118.01 -0.995 . . . . 0.0 113.495 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -51.11 -41.32 59.95 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.726 1.148 . . . . 0.0 109.696 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.73 -58.11 8.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.889 1.276 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -39.91 89.26 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.674 1.59 . . . . 0.0 112.514 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -55.71 31.42 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 118.709 0.686 . . . . 0.0 111.423 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -69.66 -31.71 69.93 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.998 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.9 -37.95 89.27 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 117.817 0.28 . . . . 0.0 110.605 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -75.68 -13.59 60.33 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.024 0.53 . . . . 0.0 111.32 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.52 23.23 9.01 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 125.04 1.305 . . . . 0.0 113.936 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 t -126.71 116.97 46.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.153 0 CA-C-N 118.826 1.313 . . . . 0.0 111.007 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -146.87 97.53 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.36 -156.51 7.86 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 125.141 1.353 . . . . 0.0 110.215 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.75 111.67 17.41 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -78.19 135.97 37.73 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -146.09 123.88 11.93 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -102.83 149.05 24.87 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.947 0.899 . . . . 0.0 110.748 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.66 92.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 104.383 -2.451 . . . . 0.0 104.383 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.88 59.15 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.46 -56.15 6.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.272 0.942 . . . . 0.0 108.833 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.5 p -78.92 -10.58 59.85 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.775 -0.578 . . . . 0.0 110.855 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 92.7 mttt 63.87 42.02 6.31 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 126.585 1.954 . . . . 0.0 108.944 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.7 p -113.9 154.21 27.91 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.822 0.849 . . . . 0.0 110.097 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.75 101.35 4.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 102.174 -3.269 . . . . 0.0 102.174 178.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -94.22 137.23 33.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 126.841 2.056 . . . . 0.0 111.701 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 t -114.71 101.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 102.577 -3.12 . . . . 0.0 102.577 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 77.9 m -103.81 113.1 26.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.026 0.931 . . . . 0.0 109.95 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 . . . . . 0 C--O 1.247 0.933 0 C-N-CA 124.63 1.172 . . . . 0.0 110.304 -179.414 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 ttm . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.78 125.52 7.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 124.953 1.263 . . . . 0.0 110.599 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m -94.79 107.56 19.57 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -93.16 129.55 39.13 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.492 1.139 . . . . 0.0 108.634 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -91.1 111.68 23.25 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 113.178 -1.828 . . . . 0.0 106.599 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 134.73 34.14 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.963 0.905 . . . . 0.0 109.381 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -132.7 122.6 47.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -97.45 119.09 35.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.144 2.177 . . . . 0.0 105.728 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.34 80.1 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 178.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -168.06 44.36 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.463 1.03 . . . . 0.0 112.05 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -18.29 17.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.617 1.167 . . . . 0.0 112.725 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 m -115.41 -33.57 5.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.642 0.777 . . . . 0.0 111.743 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.46 168.62 21.44 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.864 1.666 . . . . 0.0 110.556 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -132.36 163.03 29.6 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.12 1.768 . . . . 0.0 107.432 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.79 170.31 34.17 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.35 119.53 4.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -138.59 178.54 7.07 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.669 1.588 . . . . 0.0 110.951 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 p -139.48 137.1 35.25 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.567 -1.333 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 m -148.39 137.5 21.84 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.35 141.56 29.52 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.562 -0.711 . . . . 0.0 111.368 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.54 161.23 40.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 125.722 1.609 . . . . 0.0 111.19 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.28 -39.12 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -142.36 161.78 37.16 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.418 1.087 . . . . 0.0 109.53 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.84 66.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.991 0.916 . . . . 0.0 111.869 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.79 92.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.404 1.002 . . . . 0.0 111.413 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -70.01 -39.17 76.01 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.56 -52.91 63.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.73 0.812 . . . . 0.0 109.283 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.93 -53.85 29.26 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 126.786 2.034 . . . . 0.0 110.355 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.8 -52.41 64.09 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.921 1.288 . . . . 0.0 111.703 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.41 -54.0 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 123.044 0.538 . . . . 0.0 110.09 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -54.11 -30.6 49.36 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.633 1.173 . . . . 0.0 112.548 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -52.95 -34.41 55.45 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 111.858 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -69.4 -54.68 13.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.895 0.878 . . . . 0.0 109.661 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.98 -47.81 83.82 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.66 -55.36 31.35 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.41 -38.41 90.94 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.09 -17.64 64.43 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 122.927 0.491 . . . . 0.0 111.858 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -100.29 0.16 39.63 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.871 1.269 . . . . 0.0 110.454 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.34 23.32 44.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 121.097 -1.002 . . . . 0.0 113.791 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.95 127.73 75.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.076 0 CA-C-N 118.783 1.291 . . . . 0.0 108.152 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -157.17 106.99 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.7 -164.48 10.82 Favored Glycine 0 C--O 1.226 -0.369 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.04 118.06 11.47 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.168 0.587 . . . . 0.0 110.226 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -83.88 99.77 10.56 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 127.042 2.137 . . . . 0.0 111.18 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 m -122.94 134.08 54.36 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.471 0.708 . . . . 0.0 109.199 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -113.17 149.54 33.49 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.486 2.314 . . . . 0.0 111.416 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -140.32 113.4 8.34 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 126.03 1.732 . . . . 0.0 107.274 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -25.8 60.08 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.381 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.27 87.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 119.413 1.006 . . . . 0.0 111.388 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -1.75 25.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.953 0.901 . . . . 0.0 109.593 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.4 mttp 58.8 18.79 6.34 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 126.357 1.863 . . . . 0.0 110.946 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 p -83.81 136.83 33.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.917 0.887 . . . . 0.0 109.671 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.23 102.12 6.55 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 101.894 -3.372 . . . . 0.0 101.894 178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 m -104.75 136.49 44.17 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.421 0.689 . . . . 0.0 112.367 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.24 106.01 19.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 101.558 -3.497 . . . . 0.0 101.558 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.08 108.77 14.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 118.989 0.813 . . . . 0.0 111.88 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--O 1.247 0.951 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 178.124 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 mtt . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.88 145.55 45.2 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 m -104.93 118.47 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -94.27 113.51 25.43 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 104.656 -2.35 . . . . 0.0 104.656 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -78.01 117.49 19.39 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.498 HD23 ' CD2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -88.55 123.56 33.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.4 108.88 22.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -82.31 112.91 19.72 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 102.421 -3.178 . . . . 0.0 102.421 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -119.51 78.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.05 179.66 48.53 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 114.949 -1.023 . . . . 0.0 113.136 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.06 -8.48 45.75 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.588 1.555 . . . . 0.0 112.419 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -133.58 -31.93 1.17 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.034 0.833 . . . . 0.0 111.628 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.03 169.38 19.35 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 125.14 1.376 . . . . 0.0 109.083 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -140.4 167.81 21.28 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.873 1.269 . . . . 0.0 112.898 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -151.56 163.1 29.86 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -151.93 117.96 5.52 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 106.16 -1.792 . . . . 0.0 106.16 178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 p -145.31 171.28 14.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.681 1.192 . . . . 0.0 110.971 -178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -139.53 134.39 32.14 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.294 -0.879 . . . . 0.0 110.907 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 m -149.88 137.52 20.03 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -95.51 147.69 23.29 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.919 1.236 . . . . 0.0 108.281 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.64 172.88 12.36 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.689 1.595 . . . . 0.0 108.955 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.2 p -78.64 -25.32 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 118.407 0.548 . . . . 0.0 110.978 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -158.81 168.42 26.86 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 118.697 0.681 . . . . 0.0 110.298 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.16 95.09 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.184 0.994 . . . . 0.0 110.588 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.03 -44.81 74.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.252 0.621 . . . . 0.0 110.676 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -66.69 -48.94 67.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.79 60.65 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.963 0.505 . . . . 0.0 110.511 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -53.63 -54.09 42.56 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.596 1.558 . . . . 0.0 111.311 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -64.42 -45.42 87.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.37 -178.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.95 -53.08 48.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 110.05 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.498 ' CD2' HD23 ' A' ' 6' ' ' LEU . 14.4 m-85 -60.92 -14.49 22.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -58.48 -30.03 66.67 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-N 119.5 1.045 . . . . 0.0 110.388 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -56.6 -58.01 9.9 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.73 -42.32 92.86 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.813 2.045 . . . . 0.0 111.937 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.27 43.46 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 118.876 0.762 . . . . 0.0 109.813 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -57.33 -45.64 84.08 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.661 0.784 . . . . 0.0 109.38 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.77 -35.3 77.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.681 1.193 . . . . 0.0 112.755 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.43 -5.94 58.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.183 0.593 . . . . 0.0 111.574 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.1 29.77 36.65 Favored Glycine 0 CA--C 1.524 0.635 0 CA-C-O 118.829 -0.984 . . . . 0.0 115.34 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.32 157.51 38.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 118.546 1.173 . . . . 0.0 109.097 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -162.49 168.71 21.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 129.114 2.966 . . . . 0.0 105.679 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.05 -155.75 27.1 Favored Glycine 0 N--CA 1.454 -0.142 0 N-CA-C 107.648 -2.181 . . . . 0.0 107.648 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -98.62 106.95 19.29 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -78.57 102.1 7.76 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.666 1.986 . . . . 0.0 111.377 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.3 m -125.2 139.31 53.85 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -107.89 150.1 27.48 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.901 1.281 . . . . 0.0 111.756 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -127.01 101.04 6.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 127.498 2.319 . . . . 0.0 104.809 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -37.21 86.89 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 118.79 -0.624 . . . . 0.0 111.876 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.52 20.97 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.518 1.054 . . . . 0.0 109.458 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.0 m -78.71 -13.96 59.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.58 -0.724 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 60.45 46.2 10.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.272 2.229 . . . . 0.0 109.676 -178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p -120.66 154.01 36.11 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 125.516 1.526 . . . . 0.0 108.635 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.62 101.77 4.16 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.769 -3.049 . . . . 0.0 102.769 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.2 m -104.93 136.69 43.93 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 123.257 0.623 . . . . 0.0 112.139 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.6 t -108.08 98.17 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 104.014 -2.587 . . . . 0.0 104.014 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 m -115.14 145.25 42.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.222 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.5 mtt . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.474 0.654 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.32 154.62 41.11 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 124.371 0.986 . . . . 0.0 111.732 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m -135.21 115.07 12.93 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 24' ' ' ALA . 42.9 m-85 -95.53 139.97 31.04 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -81.08 108.97 15.2 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.037 0.535 . . . . 0.0 110.314 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.01 100.07 10.23 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.429 2.292 . . . . 0.0 110.139 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.54 128.66 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 125.207 1.403 . . . . 0.0 108.105 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -98.68 116.03 30.0 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 127.409 2.283 . . . . 0.0 106.336 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -119.87 82.14 1.84 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.7 159.97 14.58 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.232 0.92 . . . . 0.0 112.329 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.88 -0.31 2.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 -179.279 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -141.23 -29.78 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 120.011 1.278 . . . . 0.0 113.42 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 163.59 35.79 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.592 1.557 . . . . 0.0 108.243 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -141.0 166.13 25.63 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 125.078 1.351 . . . . 0.0 108.935 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.13 161.79 33.2 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -157.35 119.14 3.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.9 p -143.1 169.5 17.47 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 124.758 1.223 . . . . 0.0 109.065 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 p -136.08 134.08 38.02 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.322 1.419 . . . . 0.0 110.986 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -148.75 139.19 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.682 1.993 . . . . 0.0 108.298 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.54 156.19 16.91 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.36 0.982 . . . . 0.0 110.36 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.13 175.63 13.22 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.678 2.391 . . . . 0.0 108.479 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.19 -27.06 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 120.158 1.345 . . . . 0.0 111.784 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -159.16 163.51 35.99 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.097 0.559 . . . . 0.0 110.601 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . . . -56.74 -36.82 70.18 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.025 1.33 . . . . 0.0 110.836 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.65 93.69 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.019 0.927 . . . . 0.0 110.95 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.3 m -68.15 -49.12 63.04 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.04 -47.97 74.07 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.887 0.475 . . . . 0.0 110.475 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -51.66 -51.27 57.17 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.661 1.984 . . . . 0.0 110.823 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -74.43 -35.19 63.37 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.606 -0.684 . . . . 0.0 112.725 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.22 -54.71 21.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.82 -15.2 61.45 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 117.223 -1.37 . . . . 0.0 113.019 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -51.81 -41.7 61.93 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.73 1.604 . . . . 0.0 113.052 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -58.35 -56.22 24.95 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -57.55 -52.99 63.17 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.693 1.597 . . . . 0.0 112.102 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.13 -54.3 46.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.488 0.715 . . . . 0.0 112.009 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.21 -36.84 85.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 123.446 0.466 . . . . 0.0 110.899 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.31 -35.2 80.27 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.167 0.587 . . . . 0.0 110.54 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.16 -11.22 60.64 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.971 0.909 . . . . 0.0 110.268 178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.54 19.87 57.56 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-O 118.576 -1.125 . . . . 0.0 112.819 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -115.59 137.04 50.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 119.254 1.527 . . . . 0.0 108.221 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -151.71 167.3 28.63 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.315 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.28 -156.86 28.98 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.1 124.67 30.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.547 1.939 . . . . 0.0 106.458 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CH2' HG22 ' A' ' 55' ' ' VAL . 78.7 m95 -101.74 100.37 10.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 m -135.74 150.35 49.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.658 1.983 . . . . 0.0 108.12 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -122.03 150.03 42.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.422 1.489 . . . . 0.0 112.063 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -118.11 101.02 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 128.307 2.643 . . . . 0.0 106.482 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -38.54 86.26 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -53.65 53.33 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.277 0.944 . . . . 0.0 111.408 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.6 m -79.15 -14.47 59.09 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.7 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.1 mttt 61.43 53.38 3.43 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 127.489 2.315 . . . . 0.0 107.917 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 p -131.77 154.91 48.59 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.339 1.856 . . . . 0.0 111.499 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.53 102.01 3.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 103.263 -2.866 . . . . 0.0 103.263 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.5 m -110.11 126.32 53.92 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.926 1.239 . . . . 0.0 110.214 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG22 ' CH2' ' A' ' 44' ' ' TRP . 16.8 t -81.4 101.02 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.8 m -114.7 111.96 22.1 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.255 1.388 0 CA-C-O 118.135 -0.935 . . . . 0.0 109.149 179.638 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtm . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.13 146.71 30.94 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -95.37 122.02 37.64 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.259 1.024 . . . . 0.0 109.597 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.18 127.77 43.46 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -84.7 117.51 23.84 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.79 114.62 27.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.52 137.05 46.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.07 121.21 44.35 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 104.729 -2.323 . . . . 0.0 104.729 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.26 80.34 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.02 160.46 16.85 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.52 0.581 . . . . 0.0 111.973 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -9.89 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.093 1.757 . . . . 0.0 115.254 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -136.72 -23.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 119.87 1.213 . . . . 0.0 113.787 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 158.65 43.98 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.016 0.926 . . . . 0.0 109.467 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -134.31 165.86 24.15 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.456 1.102 . . . . 0.0 109.963 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.94 160.26 28.96 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -148.85 118.98 7.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.9 p -144.11 170.18 16.45 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.351 1.061 . . . . 0.0 108.857 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.35 136.9 28.34 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 120.9 -1.125 . . . . 0.0 111.221 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.1 m -148.56 138.94 22.59 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.913 1.285 . . . . 0.0 108.537 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -96.76 142.91 28.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.66 0.664 . . . . 0.0 111.202 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.19 166.12 34.12 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.342 0.657 . . . . 0.0 111.768 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -69.59 -32.47 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.121 0.968 . . . . 0.0 109.99 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -154.23 166.26 33.71 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.93 69.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.895 -0.574 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.48 -40.5 65.37 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.614 1.166 . . . . 0.0 112.425 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 m -70.85 -46.96 61.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.4 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.083 0.553 . . . . 0.0 112.491 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.53 -55.58 24.34 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 126.546 1.938 . . . . 0.0 110.53 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -75.48 -35.99 60.71 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 117.546 -1.216 . . . . 0.0 113.923 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -55.43 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 120.806 1.639 . . . . 0.0 110.52 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -71.92 -8.59 55.34 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -51.26 -42.89 61.38 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 120.571 1.532 . . . . 0.0 113.032 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -55.71 -58.91 5.85 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 124.8 1.24 . . . . 0.0 108.787 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -56.37 -45.73 80.38 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.871 1.268 . . . . 0.0 112.428 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.55 32.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.539 0.609 . . . . 0.0 111.841 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.64 -29.96 63.9 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.693 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.71 -29.75 70.32 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.385 0.674 . . . . 0.0 109.716 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -86.82 -12.93 46.5 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.009 1.324 . . . . 0.0 110.69 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.32 18.48 16.71 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-O 118.269 -1.295 . . . . 0.0 115.676 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.6 t -126.72 129.26 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 CA-C-N 119.902 1.851 . . . . 0.0 109.66 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -143.01 127.11 17.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.41 -156.82 10.64 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -82.85 106.35 14.61 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.205 1.802 . . . . 0.0 109.515 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -84.02 101.67 11.92 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.104 1.362 . . . . 0.0 108.746 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.3 m -115.59 120.56 39.83 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.987 0.812 . . . . 0.0 109.661 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -96.88 145.64 25.69 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.201 1.401 . . . . 0.0 109.33 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -142.46 109.59 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.35 -30.97 63.67 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.87 -46.59 71.28 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 120.004 1.274 . . . . 0.0 109.212 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 m -78.66 -14.49 59.28 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 tttp 51.53 50.75 18.16 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 128.515 2.726 . . . . 0.0 111.098 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -132.59 154.18 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.459 1.504 . . . . 0.0 109.9 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -142.44 102.57 4.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -115.16 136.33 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.421 -0.799 . . . . 0.0 112.805 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.2 t -95.3 103.12 14.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 102.256 -3.239 . . . . 0.0 102.256 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -112.61 127.35 56.07 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 126.59 1.956 . . . . 0.0 105.987 179.731 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.166 0.508 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.9 113.7 3.02 Favored Glycine 0 C--N 1.336 0.574 0 C-N-CA 126.513 2.006 . . . . 0.0 110.502 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.5 m -94.74 109.42 21.38 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -95.37 115.0 26.83 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -78.43 111.01 14.01 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.6 117.93 27.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.05 119.26 61.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -89.58 120.5 30.93 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -135.07 82.69 1.97 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.07 0.948 . . . . 0.0 111.163 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.33 160.96 18.89 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.821 0.724 . . . . 0.0 111.663 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -0.96 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.083 3.353 . . . . 0.0 119.284 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.8 m -141.84 -35.47 0.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 122.738 2.517 . . . . 0.0 113.515 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.91 169.42 19.2 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 118.96 0.8 . . . . 0.0 109.558 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -140.67 167.12 22.92 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.025 1.33 . . . . 0.0 111.963 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.24 152.37 24.27 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.529 -2.228 . . . . 0.0 107.529 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -143.91 117.58 9.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 104.242 -2.503 . . . . 0.0 104.242 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -143.25 163.37 33.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.56 -178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.41 135.66 44.76 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 121.341 -0.849 . . . . 0.0 109.298 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 m -149.24 138.71 21.64 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 126.879 2.072 . . . . 0.0 105.989 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -102.37 139.48 37.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.316 0.962 . . . . 0.0 110.086 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.01 172.11 13.32 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.508 1.123 . . . . 0.0 110.81 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.36 -19.88 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.44 0.696 . . . . 0.0 110.983 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.32 163.17 40.57 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 118.707 0.685 . . . . 0.0 109.705 -179.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.71 97.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.522 0.729 . . . . 0.0 111.39 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.46 77.34 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.986 0.914 . . . . 0.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.5 m -64.7 -30.65 71.67 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.133 -0.98 . . . . 0.0 110.067 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.5 -45.9 57.23 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.258 -0.902 . . . . 0.0 109.516 178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.63 -54.26 46.33 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 127.663 2.385 . . . . 0.0 111.296 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -64.55 -43.22 94.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.792 1.237 . . . . 0.0 113.515 -177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.93 -55.91 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -65.96 -12.73 57.02 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.91 -35.17 68.69 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 119.927 1.239 . . . . 0.0 110.317 178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -56.57 -55.53 32.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -39.66 94.86 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 126.37 1.868 . . . . 0.0 111.478 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.25 -54.64 44.54 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 119.194 0.906 . . . . 0.0 111.165 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -69.07 -36.38 77.56 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.808 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -69.2 -19.6 63.97 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -97.27 -11.89 23.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.179 0.992 . . . . 0.0 110.619 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.7 31.82 9.09 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 120.852 -1.155 . . . . 0.0 114.372 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -126.57 145.26 34.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 122.518 1.152 . . . . 0.0 108.114 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -148.06 166.92 26.33 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.524 1.929 . . . . 0.0 105.879 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.71 -158.49 29.09 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 119.4 1.0 . . . . 0.0 111.946 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -96.88 105.9 18.12 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.425 1.89 . . . . 0.0 109.182 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -77.76 113.94 16.12 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.4 1.08 . . . . 0.0 108.425 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.8 m -135.4 121.35 19.88 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -93.67 149.34 21.31 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.107 0.963 . . . . 0.0 108.765 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -124.23 106.48 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.096 1.759 . . . . 0.0 106.342 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -17.64 64.7 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.96 -50.56 5.64 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 119.404 1.002 . . . . 0.0 110.677 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -78.6 -13.17 59.96 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 52.84 41.25 31.75 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 127.284 2.234 . . . . 0.0 111.636 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.4 p -117.34 154.23 31.63 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.635 1.574 . . . . 0.0 106.865 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.41 101.81 4.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 102.75 -3.056 . . . . 0.0 102.75 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.81 136.16 38.53 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -114.38 95.03 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 1 N-CA-C 97.102 -5.147 . . . . 0.0 97.102 176.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 m -113.29 145.83 40.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.645 1.178 . . . . 0.0 108.604 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.346 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 mtt . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.77 168.39 36.26 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.076 -1.609 . . . . 0.0 109.076 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.7 m -128.01 129.96 47.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 118.041 0.92 . . . . 0.0 110.918 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -94.56 120.63 35.09 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -74.38 105.63 5.63 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -87.88 109.5 19.82 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.858 0.863 . . . . 0.0 110.237 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.65 143.31 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.235 1.414 . . . . 0.0 107.292 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' A' ' 35' ' ' ALA . 6.4 mp -112.48 129.62 56.27 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.54 80.08 1.83 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.89 172.65 54.9 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 124.706 1.146 . . . . 0.0 111.717 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -7.83 55.99 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.55 -19.76 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.7 160.61 42.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -125.96 166.93 16.03 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.216 1.407 . . . . 0.0 110.178 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.35 161.36 30.06 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.11 122.34 9.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -142.79 165.99 25.86 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 125.239 1.416 . . . . 0.0 110.885 -179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 p -149.02 135.38 19.33 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 121.455 -0.778 . . . . 0.0 110.307 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.5 m -148.66 138.29 22.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 126.412 1.885 . . . . 0.0 106.313 177.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.41 121.27 35.77 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.72 171.79 9.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.253 1.421 . . . . 0.0 109.22 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.33 -37.79 32.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 119.058 -0.496 . . . . 0.0 109.742 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.38 166.0 27.65 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.36 0.664 . . . . 0.0 110.229 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.87 -43.49 77.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.228 1.411 . . . . 0.0 111.772 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.61 71.02 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 118.337 0.517 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.5 m -66.13 -49.17 68.38 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.7 84.56 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.821 0.448 . . . . 0.0 110.741 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -58.75 -54.41 47.44 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 125.503 1.521 . . . . 0.0 109.694 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -61.92 -35.87 79.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.5 t -72.18 -56.91 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 119.468 1.031 . . . . 0.0 111.43 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -65.79 -14.66 61.8 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 -177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -57.11 -31.19 65.04 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 120.434 1.47 . . . . 0.0 110.635 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -60.32 -56.51 20.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.115 1.366 . . . . 0.0 107.863 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -58.83 -44.88 90.99 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.871 0.868 . . . . 0.0 110.724 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -59.8 -55.28 36.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.727 -0.654 . . . . 0.0 112.645 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -70.75 -32.12 69.18 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 118.902 -1.119 . . . . 0.0 110.622 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.05 -31.74 72.95 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 118.973 -0.536 . . . . 0.0 111.055 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -93.23 -0.27 56.87 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.675 0.79 . . . . 0.0 112.605 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.81 32.68 12.4 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.073 -1.404 . . . . 0.0 115.814 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.7 t -120.79 133.03 68.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 119.976 1.888 . . . . 0.0 109.425 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -148.03 98.54 2.95 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.317 1.047 . . . . 0.0 109.763 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -148.43 -172.69 18.58 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 123.519 0.581 . . . . 0.0 112.255 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -69.53 125.38 26.53 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.319 1.047 . . . . 0.0 111.108 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -88.4 99.92 12.64 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.918 1.687 . . . . 0.0 108.838 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.7 m -120.23 122.89 41.91 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.15 0.58 . . . . 0.0 110.091 -178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -99.14 149.63 22.86 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.743 2.017 . . . . 0.0 111.983 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -137.35 92.0 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -65.95 -19.8 65.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.213 1.405 . . . . 0.0 113.365 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.6 -50.81 9.48 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -78.46 -14.21 59.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.816 1.246 . . . . 0.0 111.171 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 61.55 33.06 18.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 127.846 2.458 . . . . 0.0 110.936 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 p -117.57 154.34 31.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.23 122.82 12.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 102.101 -3.296 . . . . 0.0 102.101 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.6 135.7 54.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.196 0.453 . . . . 0.0 111.549 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 38.2 t -108.34 95.8 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 100.849 -3.76 . . . . 0.0 100.849 177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.7 m -105.25 124.54 49.72 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 109.238 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.249 1.03 0 C-N-CA 126.447 1.899 . . . . 0.0 110.687 -178.585 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.67 174.91 20.25 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 124.786 1.184 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.8 m -141.97 146.01 35.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.059 1.344 . . . . 0.0 108.827 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -123.32 125.61 45.35 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.725 1.21 . . . . 0.0 107.855 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -86.73 111.9 21.15 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 104.749 -2.315 . . . . 0.0 104.749 178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 107.16 17.85 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.511 1.124 . . . . 0.0 109.348 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mp -101.33 123.85 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.61 119.49 39.58 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.15 106.37 9.52 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.656 1.182 . . . . 0.0 108.067 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.44 178.4 17.69 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.282 0.944 . . . . 0.0 113.54 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -6.67 56.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.011 0.924 . . . . 0.0 112.791 179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -137.35 -27.16 0.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.04 170.42 17.17 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.552 1.141 . . . . 0.0 111.512 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -141.04 166.36 25.02 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.857 1.663 . . . . 0.0 109.765 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.39 161.05 31.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -146.42 118.85 8.44 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.2 p -138.07 175.21 9.78 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.307 1.043 . . . . 0.0 110.672 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.9 p -134.53 143.27 47.33 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.906 -1.121 . . . . 0.0 111.143 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.483 ' HB ' ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -146.68 138.97 24.87 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -116.16 110.45 18.84 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.47 165.43 26.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.366 1.466 . . . . 0.0 109.856 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.3 p -66.83 -26.47 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.117 0.967 . . . . 0.0 112.306 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.03 157.76 44.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.912 0.778 . . . . 0.0 111.772 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.5 -37.8 82.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.529 1.532 . . . . 0.0 109.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.85 -42.12 75.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.505 0.722 . . . . 0.0 110.84 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -65.37 -45.76 82.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 118.53 0.604 . . . . 0.0 109.468 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -49.76 72.24 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.91 -55.09 37.13 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.501 1.52 . . . . 0.0 111.903 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.92 -48.26 82.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.874 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.77 -52.26 41.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.187 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CE2' ' HB ' ' A' ' 19' ' ' THR . 1.9 m-85 -65.46 -16.22 63.42 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-O 117.713 -1.137 . . . . 0.0 113.041 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.81 -33.43 61.56 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 120.411 1.46 . . . . 0.0 111.069 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.51 -58.63 7.47 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -44.27 96.89 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 125.591 1.557 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.91 -53.68 55.51 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.597 0.759 . . . . 0.0 110.674 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -63.06 -42.54 99.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.957 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -62.86 -32.71 74.0 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.468 1.507 . . . . 0.0 111.564 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -78.86 -19.34 52.22 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.436 1.095 . . . . 0.0 109.765 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.51 21.73 9.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.98 1.276 . . . . 0.0 115.278 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 t -120.08 131.59 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 119.632 1.716 . . . . 0.0 108.964 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -151.97 98.44 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.6 -156.96 7.45 Favored Glycine 0 C--N 1.335 0.476 0 C-N-CA 123.641 0.639 . . . . 0.0 112.792 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -69.96 105.85 2.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.509 1.524 . . . . 0.0 112.459 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -84.62 104.37 14.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.709 1.603 . . . . 0.0 109.771 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m -120.64 124.96 46.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 120.351 1.432 . . . . 0.0 110.787 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -91.39 148.76 22.09 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.492 1.117 . . . . 0.0 110.071 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -135.31 92.4 2.85 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.529 1.932 . . . . 0.0 106.583 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -21.25 65.64 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.619 -0.676 . . . . 0.0 112.111 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.39 -49.41 42.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 119.031 0.832 . . . . 0.0 109.411 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -89.4 -10.57 46.05 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.32 0.509 . . . . 0.0 110.872 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 60.36 54.36 3.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.15 2.18 . . . . 0.0 109.315 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 p -131.22 154.69 48.16 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 127.053 2.141 . . . . 0.0 107.727 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.44 102.79 4.01 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 m -105.16 136.37 44.79 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 t -103.91 96.66 4.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 101.692 -3.448 . . . . 0.0 101.692 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m -97.04 88.49 4.52 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 . . . . . 0 C--O 1.252 1.231 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.218 . . . . . . . . 0 0 . 1 stop_ save_