data_1yx3_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 1yx3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 p -113.73 133.42 55.36 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.422 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.434 HD12 HG12 ' A' ' 30' ' ' VAL . 35.4 pt -89.72 163.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.475 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -106.4 110.31 22.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.022 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.4 112.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.06 22.8 13.04 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.383 0.427 . . . . 0.0 111.165 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.74 85.39 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.897 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.83 141.59 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.91 107.54 19.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -99.19 132.2 44.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.1 118.03 21.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.293 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 20' ' ' LEU . 25.2 m -124.62 151.77 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.717 176.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.48 150.86 48.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.92 -17.08 64.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.9 -11.34 59.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.3 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 96.47 39.31 4.23 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.162 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 79.8 m-85 -129.23 120.43 25.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HA ' HG13 ' A' ' 14' ' ' VAL . 54.2 tp -57.4 120.1 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.993 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -93.78 -33.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 110.202 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -79.52 82.17 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.608 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -85.76 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.727 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -102.23 7.9 40.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.356 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -159.37 -86.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.853 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.7 t90 67.53 109.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.417 0.687 . . . . 0.0 111.399 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.9 m -116.13 163.35 21.84 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.669 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 52.3 Cg_exo -53.65 -34.35 73.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.726 2.284 . . . . 0.0 112.574 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.6 -34.64 82.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.348 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG13 ' HE1' ' A' ' 34' ' ' MET . 91.1 t -59.57 -51.67 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.035 0.445 . . . . 0.0 110.339 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.79 -46.51 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -64.12 -36.57 77.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.918 0.39 . . . . 0.0 110.926 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.479 ' HE1' HG13 ' A' ' 30' ' ' VAL . 69.4 mtm -71.37 -31.65 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.829 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -72.22 -39.27 68.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.47 -37.83 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.074 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.16 -14.37 61.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.61 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.34 -10.71 16.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.121 0.486 . . . . 0.0 109.96 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.44 33.95 8.43 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.934 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 8.0 tt -108.63 123.91 49.68 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.75 0.31 . . . . 0.0 110.359 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -105.24 106.44 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.515 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -92.04 -175.55 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.8 -26.41 68.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -66.15 -48.27 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.918 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 50' ' ' ILE . 75.1 m80 -63.41 -48.71 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.524 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.25 -32.44 72.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.901 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.3 -43.36 86.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -69.36 -43.31 81.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.109 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 46' ' ' HIS . 86.9 mt -59.98 -48.6 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.567 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.07 -35.02 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.85 -52.67 64.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD21 HD12 ' A' ' 69' ' ' LEU . 68.8 mt -62.19 -39.95 94.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.727 0.299 . . . . 0.0 111.095 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 tpt85 -57.52 -50.62 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.456 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.24 -47.91 66.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.885 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.5 -48.86 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.982 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -66.86 -35.4 79.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 110.673 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.22 -37.68 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.672 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.3 -41.27 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -94.0 -20.58 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 66.67 18.38 10.72 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.502 0.501 . . . . 0.0 110.72 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -116.87 134.08 61.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.191 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.56 111.48 61.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.32 118.59 5.7 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.744 2.296 . . . . 0.0 112.718 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.03 177.03 4.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.941 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.66 -34.79 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.708 0.29 . . . . 0.0 111.485 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 67' ' ' ARG . 12.8 mmt180 -68.79 -30.92 69.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -86.94 -46.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.745 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.682 HD12 HD21 ' A' ' 53' ' ' LEU . 50.8 tp -53.55 -48.81 68.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -56.93 -34.92 68.47 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.713 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.49 -49.53 18.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.375 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.78 80.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.776 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.84 -31.74 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.48 -41.76 97.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.414 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -83.83 -37.37 22.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.421 . . . . 0.0 111.008 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -69.28 -57.33 5.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.551 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -68.87 -43.14 75.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.609 -171.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -159.34 -135.43 1.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.302 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -91.39 -54.16 4.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 0.0 110.667 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.08 35.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.35 0.595 . . . . 0.0 109.559 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -70.68 -14.9 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.305 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.54 80.38 1.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.208 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 146.56 39.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.594 0.235 . . . . 0.0 110.49 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.419 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 8.1 m -57.68 -47.77 81.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.136 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.23 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -61.52 -43.97 97.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.769 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.0 mm? -64.92 -39.31 93.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.248 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 84' ' ' SER . 35.6 m-85 -72.77 -21.61 60.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 111.471 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 m -81.57 -22.09 38.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.045 0.45 . . . . 0.0 110.351 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.05 -47.07 8.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.3 m-85 -121.57 92.55 48.71 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.193 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.03 -4.96 16.14 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 123.146 2.564 . . . . 0.0 113.026 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -97.32 -15.29 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 138.68 102.39 0.56 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.715 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 1.3 Cg_endo -41.55 -70.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 124.371 3.381 . . . . 0.0 114.809 -170.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.23 90.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.44 -39.17 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.207 0.527 . . . . 0.0 110.844 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -74.82 -38.59 62.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.98 70.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 21.9 p -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.741 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 16.0 ttt180 -53.07 -49.33 66.61 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.29 0.369 . . . . 0.0 110.983 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.61 -29.38 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 111.305 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.44 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.35 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.73 21.33 56.25 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.256 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 66.1 mt -95.86 148.9 35.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.65 167.28 24.74 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.443 2.096 . . . . 0.0 111.744 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.8 ttmt -59.23 112.66 5.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 61.1 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.258 2.638 . . . . 0.0 112.998 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -125.79 117.51 23.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.888 0.375 . . . . 0.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.483 HG13 ' HB2' ' A' ' 12' ' ' PHE . 31.3 pt -94.18 127.97 45.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.075 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.62 99.34 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.548 . . . . 0.0 109.798 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.408 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 60.2 t -122.29 124.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.771 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.49 7.65 6.34 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.357 0.599 . . . . 0.0 110.907 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.95 -3.82 58.8 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.754 ' HZ2' ' HB2' ' A' ' 10' ' ' LYS . 5.0 ttmp? -106.06 132.77 51.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 0.0 110.531 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -80.96 107.94 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HB2' HG13 ' A' ' 5' ' ' ILE . 87.3 m-85 -91.6 110.66 21.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.749 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.05 121.32 20.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.469 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 20' ' ' LEU . 32.6 m -121.78 144.63 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.833 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.83 165.41 15.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.48 -27.59 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.76 -6.3 48.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.03 39.27 8.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.621 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -126.07 142.93 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.604 0.24 . . . . 0.0 110.612 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HA ' HG12 ' A' ' 14' ' ' VAL . 56.0 tp -67.83 114.53 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.156 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -81.29 -23.03 38.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.05 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -105.1 97.26 7.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 104' ' ' GLY . 79.2 mt -97.51 35.87 1.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.193 0.52 . . . . 0.0 110.737 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -71.35 -40.89 70.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.888 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 28.8 t70 -138.5 -64.32 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -174.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.416 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 88.0 t90 71.91 124.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 111.152 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 27.6 m -120.36 157.77 52.79 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.926 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 11.8 Cg_endo -56.18 -31.2 82.79 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.992 2.462 . . . . 0.0 112.468 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.47 -30.49 71.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.692 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 5' ' ' ILE . 92.4 t -62.87 -46.86 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.964 0.411 . . . . 0.0 109.922 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.13 95.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.931 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.03 -36.54 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.226 0.536 . . . . 0.0 110.953 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.52 ' HE2' ' HA ' ' A' ' 102' ' ' PHE . 20.7 ttp -76.9 -20.3 56.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.265 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.38 52.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.004 0.431 . . . . 0.0 110.263 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -63.05 -24.58 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.151 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.93 -32.58 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.18 6.39 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 61.29 23.64 13.84 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.513 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -92.16 111.1 22.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.071 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -74.15 114.62 12.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.905 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 110.15 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.481 . . . . 0.0 110.794 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -91.66 179.39 5.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.135 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.36 -31.91 72.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.461 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.07 -42.45 84.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.949 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -63.88 -49.62 71.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.626 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -61.1 -29.77 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.393 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' A' ' 76' ' ' LYS . 20.4 t70 -67.88 -41.24 83.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.7 mm -67.62 -43.32 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.4 -44.84 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.274 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.18 -45.74 75.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.13 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 77.8 t80 -57.53 -57.62 11.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.021 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.584 ' HB3' HD13 ' A' ' 105' ' ' LEU . 33.9 mt -64.4 -31.88 73.27 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -60.93 2.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -15.67 48.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.552 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -66.56 -44.32 82.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 87.3 t80 -74.94 -33.72 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.06 -48.71 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.729 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -80.63 -46.7 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.747 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -92.07 -26.17 18.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -174.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 86.7 mm-40 64.83 26.68 12.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.357 0.599 . . . . 0.0 110.826 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.5 133.9 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.546 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.41 111.01 64.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.45 140.37 21.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.306 2.004 . . . . 0.0 113.317 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.14 175.38 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.297 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.496 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 7.8 p -67.11 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.003 -173.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -71.75 -35.11 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 109.938 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.55 -43.96 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.841 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.584 HD11 HD21 ' A' ' 53' ' ' LEU . 57.3 tp -57.95 -46.78 84.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.6 m -59.29 -42.05 90.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -69.69 -27.46 65.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.482 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.37 -34.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.8 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 69' ' ' LEU . 96.0 t -64.24 -35.76 74.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 14.54 4.76 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.303 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -124.5 -13.93 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.023 0.44 . . . . 0.0 110.236 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 57.9 tttm -102.46 -38.84 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HB3' ' HD3' ' A' ' 81' ' ' LYS . 3.8 mm? -90.59 39.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.423 0.63 . . . . 0.0 110.662 -171.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.38 -89.16 0.72 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.814 ' HE2' ' HA ' ' A' ' 79' ' ' LYS . 6.1 mmpt? -141.08 -82.8 0.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 171.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.32 92.53 4.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.734 0.778 . . . . 0.0 111.826 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.436 ' HE2' ' CE1' ' A' ' 86' ' ' TYR . 84.3 tttt -128.37 -53.38 1.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.469 173.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -94.39 54.21 2.08 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.053 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -82.43 -36.02 27.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.2 t -159.64 -67.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.923 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -52.73 -49.19 65.91 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.535 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.64 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 28.5 t80 -48.67 -50.97 30.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.724 0.64 . . . . 0.0 112.157 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 HD22 HG11 ' A' ' 73' ' ' VAL . 4.5 mm? -72.56 -46.09 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.544 0.202 . . . . 0.0 111.544 -175.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -69.88 -13.51 62.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.302 . . . . 0.0 111.501 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.6 m -88.9 -40.41 13.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.544 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.1 mt -68.65 -43.18 76.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 110.372 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.532 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 21.3 m-85 -129.32 101.84 18.95 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.587 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.66 -51.29 6.32 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.112 2.542 . . . . 0.0 113.526 -174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.27 -56.27 4.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.88 109.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.312 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.532 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.2 Cg_exo -51.83 -51.87 10.23 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.217 2.611 . . . . 0.0 112.421 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 66' ' ' VAL . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.498 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.95 -47.29 85.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.383 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.27 -44.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.64 90.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.233 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.4 p -66.26 -42.8 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.352 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.6 -50.93 64.58 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-O 120.703 0.287 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' HA ' ' HE2' ' A' ' 34' ' ' MET . 22.7 m-85 -65.51 -34.09 77.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.25 -175.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -79.31 -6.18 56.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.528 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 88.24 0.47 82.7 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.249 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 20.1 mt -71.76 140.06 83.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.631 0.253 . . . . 0.0 110.792 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.9 147.43 95.49 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.316 2.011 . . . . 0.0 111.035 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 50.3 pttt -53.19 116.09 8.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 O-C-N 123.461 0.476 . . . . 0.0 111.118 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 3.4 Cg_exo . . . . . 0 N--CA 1.462 -0.378 0 C-N-CA 123.3 2.666 . . . . 0.0 112.196 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.7 t0 . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.67 0.272 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 21.8 p -116.48 125.31 51.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.916 0.389 . . . . 0.0 111.061 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 19.9 pt -89.55 130.54 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.49 177.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -84.06 106.69 15.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.19 103.97 15.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.794 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.18 27.19 16.99 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.073 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.93 -21.9 19.73 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.489 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -109.6 140.8 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.18 0.49 . . . . 0.0 111.369 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.508 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 53.4 mt-30 -99.57 115.66 29.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.759 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.01 130.38 50.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.562 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.03 120.18 23.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.903 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.516 HG11 ' HA ' ' A' ' 20' ' ' LEU . 27.1 m -125.86 160.53 32.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.176 176.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.54 ' OD2' ' HB2' ' A' ' 19' ' ' TYR . 18.0 p30 -83.39 173.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.866 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -77.19 12.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -108.03 -25.21 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 6.71 9.46 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.825 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.576 ' HE2' ' HG ' ' A' ' 100' ' ' CYS . 38.4 m-85 -87.7 129.37 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.199 0.499 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.516 ' HA ' HG11 ' A' ' 14' ' ' VAL . 51.8 tp -66.53 117.2 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.531 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -91.76 -25.29 19.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.234 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -81.57 75.76 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.28 94.5 8.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -154.98 -49.33 0.09 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.149 -174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -73.42 0.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.862 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.3 t90 66.41 118.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.621 0.724 . . . . 0.0 111.513 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.44 158.23 73.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.36 -34.28 59.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.819 2.346 . . . . 0.0 112.559 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.65 -32.41 61.48 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.664 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.22 -48.72 82.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.621 0.248 . . . . 0.0 110.377 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.28 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 17.1 t70 -62.62 -55.18 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.543 178.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.23 -39.57 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.893 0.377 . . . . 0.0 111.323 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.564 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 48.5 ttm -61.32 -49.9 75.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.578 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 40' ' ' LEU . . . -68.34 -29.64 68.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.405 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 43.0 tttp -61.8 -45.97 91.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.694 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -78.35 -22.79 47.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.476 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.0 -11.98 54.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.3 t30 65.59 40.31 4.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.526 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 48.6 tp -115.9 103.32 10.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.273 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.85 131.22 44.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.252 0.548 . . . . 0.0 111.13 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.94 109.72 21.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -87.52 -176.18 5.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.058 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.18 -47.01 65.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.429 0.633 . . . . 0.0 110.51 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.464 ' O ' HG12 ' A' ' 49' ' ' ILE . 38.6 mt-10 -69.75 -37.52 76.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.035 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -60.93 -48.06 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.359 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -61.97 -35.76 79.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.397 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.37 -39.03 74.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.536 0.208 . . . . 0.0 111.098 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.8 mm -64.02 -44.81 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.302 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.33 -43.1 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.217 0.532 . . . . 0.0 109.81 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.08 -39.1 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.298 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.63 -47.45 85.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.561 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.14 -36.21 79.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.651 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -54.38 -50.39 67.64 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.663 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.02 -46.18 71.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.5 -46.79 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -67.39 -41.43 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.311 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.03 -33.95 76.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.983 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 -57.98 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.4 ' O ' HG13 ' A' ' 62' ' ' ILE . 79.5 m-85 -87.14 -21.38 26.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 64.66 22.89 12.7 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.649 0.38 . . . . 0.0 111.474 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 60' ' ' TYR . 66.8 mt -123.75 146.23 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.094 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.52 113.03 64.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.12 136.1 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.427 2.084 . . . . 0.0 112.618 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.71 170.08 14.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -32.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.927 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -68.28 -41.54 80.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.72 -39.02 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.277 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.9 tp -60.62 -55.11 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.794 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -57.9 -34.96 70.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.024 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.99 -45.4 89.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.672 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.84 -31.93 63.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.56 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.767 HG13 HD22 ' A' ' 77' ' ' LEU . 53.2 t -54.9 -39.24 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.049 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.0 -15.85 63.32 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.047 -0.597 . . . . 0.0 113.085 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.58 -14.03 16.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -102.55 -50.31 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -173.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.767 HD22 HG13 ' A' ' 73' ' ' VAL . 4.1 mm? -84.82 28.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.746 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.11 -125.06 6.3 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.172 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -146.11 -34.8 0.29 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.77 9.64 36.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.622 0.725 . . . . 0.0 109.911 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -125.45 102.82 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.504 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.89 73.77 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.55 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -139.17 176.73 8.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.749 0.309 . . . . 0.0 110.634 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -72.76 -35.47 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.692 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HD3' ' O ' ' A' ' 85' ' ' LYS . 1.7 tmtp? -58.85 -47.85 83.42 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -56.85 -47.71 79.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.762 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 37.4 mt -71.85 -29.01 63.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.804 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.3 -20.99 56.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.796 0.332 . . . . 0.0 111.19 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -74.88 -32.32 61.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.11 -53.62 8.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.525 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 48.4 m-85 -126.83 99.31 29.48 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.086 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.18 -18.38 50.84 Favored 'Trans proline' 0 N--CA 1.472 0.212 0 C-N-CA 123.216 2.611 . . . . 0.0 112.977 -175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -92.7 2.08 56.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.436 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 116.78 118.08 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.435 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.762 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.7 Cg_endo -50.89 -54.63 5.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 123.365 2.71 . . . . 0.0 112.999 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.15 -52.72 64.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.825 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -70.13 -44.53 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.342 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.81 92.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.4 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.723 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 16.2 p -66.3 -32.67 74.21 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 101' ' ' ARG . 7.6 ttm180 -55.33 -51.54 66.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.485 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.564 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -66.17 -30.75 71.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.298 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -86.92 -3.88 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.349 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.417 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 74.4 22.59 77.26 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.834 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.723 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 44.3 mt -87.73 139.23 31.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 O-C-N 122.74 -0.27 . . . . 0.0 110.605 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.0 141.52 86.37 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.749 2.299 . . . . 0.0 111.667 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -47.87 112.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.889 0.743 . . . . 0.0 111.996 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.904 2.403 . . . . 0.0 111.871 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 N--CA 1.458 -0.073 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 1.6 p -142.54 125.08 15.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.922 0.391 . . . . 0.0 111.434 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.5 132.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.44 110.34 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.406 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.07 113.45 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.333 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 70.36 -70.88 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.934 0.771 . . . . 0.0 111.042 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.25 19.66 0.2 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.5 138.18 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.293 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.492 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 25.9 mt-30 -92.9 108.68 20.19 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.73 117.21 29.19 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.1 131.0 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.82 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.66 144.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.2 162.55 16.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.42 -24.56 45.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -98.25 7.92 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.21 49.86 5.08 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.552 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.664 ' HB3' ' HA ' ' A' ' 106' ' ' PRO . 91.5 m-85 -135.41 141.74 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.25 113.98 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 p -93.89 -22.31 18.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.086 0.47 . . . . 0.0 110.379 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -81.34 83.55 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.185 0.517 . . . . 0.0 110.489 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.33 74.58 10.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.144 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -111.68 -59.49 1.98 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.45 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -137.41 -50.49 0.62 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.655 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.2 t90 68.56 120.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.733 0.645 . . . . 0.0 111.035 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.13 150.39 42.39 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.661 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.66 -30.31 55.09 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 113.118 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.42 -26.95 62.58 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.657 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.53 -39.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.173 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.39 86.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.184 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.17 -54.71 42.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.532 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.3 p -66.08 -30.58 50.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.521 ' HG2' ' HG2' ' A' ' 101' ' ' ARG . 32.4 tpp -68.1 -50.84 52.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.37 -45.3 93.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.499 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 46.5 mt-30 -68.47 -38.56 81.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.49 -3.34 52.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.624 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 t30 60.33 56.66 3.13 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.75 0.786 . . . . 0.0 110.287 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -140.6 151.48 44.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.585 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -98.66 161.49 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -123.5 108.25 12.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.105 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -89.86 -174.89 4.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -56.08 -38.99 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.117 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' O ' HG12 ' A' ' 49' ' ' ILE . 45.6 mt-10 -75.6 -38.16 59.24 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.757 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.662 ' CD2' ' HG ' ' A' ' 90' ' ' LEU . 33.4 m80 -60.37 -50.9 71.75 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.556 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -60.36 -32.95 71.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.309 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.95 -49.09 73.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 45' ' ' GLU . 45.9 mm -61.52 -42.13 92.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.825 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 46' ' ' HIS . 91.0 mt -56.27 -52.09 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -67.0 -34.85 78.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.58 -44.29 96.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.505 HD23 HD12 ' A' ' 69' ' ' LEU . 17.8 mt -64.44 -37.61 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.336 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -60.53 -49.03 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.14 -40.22 96.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.12 -44.83 96.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.911 0.386 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -72.65 -40.63 66.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.801 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.28 -28.44 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.96 -56.59 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -96.11 -10.42 28.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.929 -170.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 62.46 27.74 16.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.712 0.405 . . . . 0.0 111.795 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tt -135.0 142.86 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.787 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.32 116.52 66.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.36 145.02 14.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.357 2.038 . . . . 0.0 113.123 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.0 176.84 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.405 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.88 -49.52 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.822 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -72.46 -33.36 66.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.91 -45.71 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.128 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.2 tp -60.49 -39.79 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.512 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 83' ' ' ASN . 58.0 m -50.86 -50.82 56.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.571 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.02 -30.46 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.032 0.444 . . . . 0.0 111.043 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.32 -36.35 66.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 69' ' ' LEU . 74.8 t -64.3 -39.35 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.611 178.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.93 -44.75 82.42 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.074 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -79.43 -11.15 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.578 -0.366 . . . . 0.0 111.19 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -73.95 -48.58 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.91 -43.93 70.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.226 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.21 -29.31 9.78 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.509 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -111.99 -169.37 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.07 87.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -151.3 87.31 1.38 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.914 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.601 ' HA2' ' HD2' ' A' ' 86' ' ' TYR . . . 139.41 81.85 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.027 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 27.4 t-20 -148.73 102.08 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t 55.34 -88.57 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -57.19 -29.42 63.67 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.953 0.501 . . . . 0.0 112.071 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.601 ' HD2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -58.72 -43.47 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.72 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 70.5 mt -80.28 -31.44 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.005 -176.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -69.53 -33.41 72.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.214 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.662 ' HG ' ' CD2' ' A' ' 46' ' ' HIS . 11.7 tp -67.25 -47.41 70.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 93.7 m-85 -118.08 99.02 51.89 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.435 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.53 -14.1 38.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.021 2.48 . . . . 0.0 112.704 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 41.4 m-85 -103.76 10.05 36.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.046 0.451 . . . . 0.0 110.545 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.96 111.64 2.54 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.831 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.72 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 86.6 Cg_exo -47.4 -66.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.582 2.855 . . . . 0.0 113.409 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.78 -40.62 83.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.759 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -61.46 -46.23 90.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 111.631 -173.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG3' ' HB2' ' A' ' 93' ' ' TYR . 11.6 mm100 -76.81 -42.13 41.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.16 90.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.337 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.732 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 19.7 p -69.55 -37.05 76.87 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.142 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.521 ' HG2' ' HG2' ' A' ' 34' ' ' MET . 26.7 ttm180 -57.75 -43.71 85.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -73.3 -30.46 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.54 -15.42 59.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.459 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.73 12.29 38.08 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 96.0 mt -93.56 152.39 40.85 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.596 0.236 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.664 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 70.2 Cg_endo -75.08 -166.83 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.076 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.0 tttm -81.24 112.94 37.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.363 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 2.9 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 C-N-CA 122.831 2.354 . . . . 0.0 112.082 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.0 t70 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.15 126.15 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 pt -89.35 144.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.092 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -115.05 119.56 36.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.822 0.344 . . . . 0.0 110.427 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.72 84.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.52 72.62 0.47 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.808 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.76 -36.78 2.65 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.488 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -90.28 120.42 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.86 0.362 . . . . 0.0 110.197 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.9 143.9 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 111.618 -173.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.536 ' HE2' ' HB3' ' A' ' 25' ' ' ASP . 93.3 m-85 -128.0 140.45 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.67 128.64 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.897 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 3' ' ' ASP . 33.7 m -109.58 168.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 111.798 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.434 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 11.1 t70 -98.71 179.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.856 176.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.64 -18.56 60.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.595 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 32.7 mt-10 -78.99 -6.81 57.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.609 175.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.17 45.92 5.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.119 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' A' ' 17' ' ' GLU . 40.7 p90 -137.65 158.55 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.577 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 61.4 tp -67.46 125.37 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.124 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.3 t -97.53 -15.84 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -126.11 110.2 13.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.713 0.292 . . . . 0.0 111.558 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 105' ' ' LEU . 78.6 mt -84.22 76.51 10.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.459 0.647 . . . . 0.0 109.962 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -109.02 7.89 26.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.122 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' HB3' ' HE2' ' A' ' 12' ' ' PHE . 35.7 t70 179.91 -79.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.325 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.55 ' HE3' HH11 ' A' ' 54' ' ' ARG . 73.6 t90 60.22 104.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.726 0.81 . . . . 0.0 111.891 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.6 m -108.48 162.96 18.07 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.616 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 73.2 Cg_exo -49.97 -38.88 49.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.769 2.313 . . . . 0.0 112.633 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.03 -32.46 66.83 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.898 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.55 -46.9 94.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.56 91.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.716 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.48 -50.67 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.113 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.542 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 82.8 t -56.99 -48.25 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.74 0.305 . . . . 0.0 110.512 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 42.1 ttm -60.62 -49.43 77.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.63 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.164 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.624 ' HB2' ' HZ2' ' A' ' 36' ' ' LYS . 3.5 ttmp? -74.26 -26.0 59.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 26.0 mt-30 -64.4 -41.64 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.144 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.887 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.35 61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.937 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 tp -116.71 129.08 55.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -75.13 130.29 38.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.143 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.86 100.51 11.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.578 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -88.18 177.07 6.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 175.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.517 ' H ' HG22 ' A' ' 43' ' ' THR . 10.3 pt-20 -57.77 -34.57 69.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' O ' HG12 ' A' ' 49' ' ' ILE . 41.6 mt-10 -76.23 -30.92 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.289 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -63.53 -49.35 73.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -57.25 -40.93 78.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.935 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.81 -41.79 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.0 mm -62.86 -49.13 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.435 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG21 ' HB1' ' A' ' 103' ' ' ALA . 77.9 mt -59.76 -45.67 94.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 110.367 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.3 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.008 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 83.7 t80 -59.19 -37.92 78.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.878 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HB3' HD13 ' A' ' 105' ' ' LEU . 30.1 mt -62.28 -44.81 95.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.55 HH11 ' HE3' ' A' ' 26' ' ' TRP . 5.7 ptm180 -72.46 -22.03 61.14 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.532 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.09 -38.7 51.83 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.022 0.439 . . . . 0.0 110.408 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -66.15 -40.29 90.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -70.19 -36.58 74.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.275 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 7.0 tp10 -59.79 -36.01 75.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.282 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.37 -55.66 3.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.54 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -100.04 -12.07 20.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 61.92 23.86 14.11 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.33 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -114.83 134.93 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.118 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 108.63 59.66 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 128.27 17.5 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.258 1.972 . . . . 0.0 111.98 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.35 178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.34 -52.04 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 110.803 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.88 -38.52 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 110.062 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 HD11 HD22 ' A' ' 53' ' ' LEU . 54.8 tp -63.99 -30.72 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -56.53 -39.47 73.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.469 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -67.19 -45.74 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -63.34 -44.67 94.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.133 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.504 HG13 HD23 ' A' ' 87' ' ' LEU . 96.6 t -65.98 -42.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 80' ' ' GLU . . . -58.55 -37.44 88.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.395 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.24 -40.94 50.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -70.82 -39.8 72.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.021 -174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD13 HG11 ' A' ' 73' ' ' VAL . 11.0 mp -86.37 -47.51 9.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.187 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.91 146.48 16.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 54.5 40.68 31.99 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.738 0.415 . . . . 0.0 110.798 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.43 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 29.9 tt0 68.8 -85.9 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.694 0.622 . . . . 0.0 109.643 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 tptm 66.14 -61.69 0.28 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 111.451 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.94 64.35 3.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.304 -0.474 . . . . 0.0 111.954 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -66.81 162.54 21.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.831 0.453 . . . . 0.0 110.539 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 m -53.07 -41.64 65.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.931 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -73.81 -34.29 64.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -67.27 -42.65 83.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.111 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 57.9 mt -75.33 -26.3 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -79.92 -23.03 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.62 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 p -83.63 -24.82 31.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 87' ' ' LEU . 86.4 mt -66.62 -55.17 16.55 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.0 m-85 -131.83 101.37 15.45 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.897 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 91' ' ' PHE . 3.2 Cg_exo -76.75 5.96 4.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.524 2.816 . . . . 0.0 114.048 -172.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.9 16.14 15.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.275 0.56 . . . . 0.0 110.538 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.83 95.45 1.97 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.537 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 66.7 Cg_exo -37.55 -62.01 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 124.357 3.371 . . . . 0.0 114.399 -173.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.748 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.484 ' HA ' ' SG ' ' A' ' 100' ' ' CYS . 13.5 tmtt? -71.32 -31.04 66.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.124 0.487 . . . . 0.0 110.857 -173.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 51.2 tp60 -78.52 -39.08 39.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.443 0.639 . . . . 0.0 109.734 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.29 -39.67 71.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.023 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.742 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.0 p -68.24 -30.81 69.95 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.564 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 11.9 ttt180 -53.02 -52.97 56.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.181 171.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.431 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -71.41 -29.59 65.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.388 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.451 ' HB1' HG21 ' A' ' 50' ' ' ILE . . . -78.1 -13.41 59.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.712 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.577 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 80.4 24.25 59.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.703 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.742 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 57.4 mt -81.62 141.01 47.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.84 134.66 55.5 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.587 2.191 . . . . 0.0 111.491 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -51.22 108.19 0.99 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 123.932 0.77 . . . . 0.0 111.345 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo . . . . . 0 N--CA 1.455 -0.779 0 C-N-CA 123.012 2.475 . . . . 0.0 112.073 -177.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 N--CA 1.437 -1.102 0 CA-C-O 121.338 0.589 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.464 HG21 ' HA ' ' A' ' 13' ' ' ALA . 20.7 p -123.44 151.99 42.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.562 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.495 HG13 ' HB2' ' A' ' 12' ' ' PHE . 39.8 pt -111.71 133.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -95.98 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.02 0.438 . . . . 0.0 110.087 -177.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 33' ' ' VAL . 45.5 t -129.47 122.67 56.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.381 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 69.98 8.15 6.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.089 0.556 . . . . 0.0 111.537 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.66 9.03 59.08 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.49 -174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 52.3 mttt -103.77 152.83 21.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -106.08 107.72 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.831 0.348 . . . . 0.0 110.135 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' HB2' HG13 ' A' ' 5' ' ' ILE . 93.9 m-85 -95.32 108.15 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -73.8 128.86 36.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.88 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.66 155.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.96 159.79 32.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.699 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.75 -21.84 66.13 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.592 0.234 . . . . 0.0 111.598 -176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.08 3.23 46.97 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.556 ' HA3' HH12 ' A' ' 101' ' ' ARG . . . 82.49 39.24 11.08 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.999 -0.619 . . . . 0.0 113.266 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -112.2 136.26 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.782 -0.246 . . . . 0.0 110.397 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.59 120.04 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 t -98.76 8.77 44.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -118.32 92.57 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.0 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -96.64 19.75 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.32 -25.76 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.24 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 31.1 t70 -152.67 -67.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.443 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.438 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 80.6 t90 69.92 123.08 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.544 0.688 . . . . 0.0 111.036 -173.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.34 157.26 47.67 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.553 175.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.82 -29.87 54.71 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.588 2.192 . . . . 0.0 112.14 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.21 65.33 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.753 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.16 -42.5 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.24 85.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.268 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 21.4 t70 -61.56 -51.84 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.81 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.431 HG23 HG22 ' A' ' 7' ' ' VAL . 85.3 t -65.1 -35.16 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.5 tpp -65.5 -45.52 83.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.054 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.44 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.723 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 68.3 mttm -62.95 -29.22 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -71.53 -35.22 70.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -89.74 -10.95 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.123 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 62.16 26.22 15.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.473 0.654 . . . . 0.0 110.404 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -107.98 108.61 19.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.68 134.1 46.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.077 0.465 . . . . 0.0 110.4 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.95 109.65 20.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -80.57 176.46 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.43 -34.27 70.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -75.15 -35.47 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.602 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -65.07 -48.68 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.281 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -60.72 -31.29 70.59 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.891 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.28 -42.81 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.08 -41.8 84.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.494 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 HG22 ' HB3' ' A' ' 103' ' ' ALA . 86.5 mt -58.67 -44.76 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.647 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 4.9 t30 -58.89 -45.86 89.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.01 176.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.06 -46.14 82.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 69' ' ' LEU . 16.7 mt -64.55 -35.42 80.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 111.191 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 7.9 mmm180 -68.35 -42.22 79.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.852 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.8 mt-10 -59.81 -43.55 94.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 109.91 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.48 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 14.6 t80 -65.59 -46.07 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.968 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -71.86 -39.33 69.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 1.8 tp10 -66.45 -24.05 66.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.947 0.403 . . . . 0.0 110.368 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.63 -60.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.261 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.45 -18.89 23.48 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 62.58 22.78 13.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.225 0.536 . . . . 0.0 110.78 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.97 135.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.52 115.43 64.47 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.217 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 12.8 Cg_exo -69.23 137.21 36.43 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.973 2.448 . . . . 0.0 112.662 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.66 170.84 15.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.22 -34.48 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.732 0.301 . . . . 0.0 111.455 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -72.98 -22.29 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.456 . . . . 0.0 110.929 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.78 -46.79 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' VAL . 57.7 tp -56.38 -56.39 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.199 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -53.95 -42.88 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.541 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.08 -29.77 58.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.05 -32.73 65.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.318 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 69' ' ' LEU . 93.7 t -58.28 -30.51 40.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.179 0.514 . . . . 0.0 110.473 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.5 -14.53 57.63 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -101.45 -15.04 17.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.318 0.559 . . . . 0.0 111.668 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -117.87 -30.6 5.35 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.761 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.557 ' HG ' ' HD2' ' A' ' 81' ' ' LYS . 61.8 tp -118.56 -28.12 5.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -173.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.575 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 170.07 124.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.42 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.19 -36.8 85.31 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.651 0.38 . . . . 0.0 111.665 -174.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 12.9 mp0 -107.7 5.49 26.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.345 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.557 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 41.1 ttmt -88.58 -72.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.736 -171.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.85 46.76 3.61 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.925 -172.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 80' ' ' GLU . 91.8 m-20 -89.32 -24.21 22.07 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -165.41 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.385 . . . . 0.0 112.001 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -53.48 -37.95 63.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.372 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.468 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 75.0 t80 -52.3 -55.88 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.704 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.477 HD13 HG21 ' A' ' 73' ' ' VAL . 52.0 mt -76.61 -31.19 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.68 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -73.4 -23.23 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 0.0 110.754 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -84.55 -28.84 26.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 57.2 mt -70.42 -48.1 57.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 176.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.522 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -127.61 96.28 33.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.347 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.11 -10.54 29.36 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.319 2.68 . . . . 0.0 112.983 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -101.65 7.58 42.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.264 0.554 . . . . 0.0 110.196 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 110.97 117.7 3.77 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.484 -177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.522 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 8.9 Cg_endo -50.87 -57.13 2.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.412 2.741 . . . . 0.0 112.72 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.86 74.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.587 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.55 -58.14 4.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.47 -37.02 74.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.81 86.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.397 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.1 p -68.42 -32.59 72.73 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.478 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.556 HH12 ' HA3' ' A' ' 18' ' ' GLY . 42.5 ttt85 -56.31 -41.21 75.6 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -84.03 -36.54 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.987 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.449 ' HB3' HG22 ' A' ' 50' ' ' ILE . . . -74.25 -4.42 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.903 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.73 58.74 6.1 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.951 -0.643 . . . . 0.0 111.926 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.764 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.5 mt -124.69 154.78 70.3 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.97 149.75 89.86 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.232 1.955 . . . . 0.0 111.254 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.11 108.47 1.63 Allowed Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 123.58 0.55 . . . . 0.0 111.388 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 C-N-CA 123.268 2.645 . . . . 0.0 112.543 -179.207 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.513 HG23 ' HA ' ' A' ' 13' ' ' ALA . 37.2 p -133.67 140.46 47.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.684 0.278 . . . . 0.0 110.803 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.8 pt -91.41 126.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.4 102.34 14.06 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.43 87.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 t70 69.0 -69.67 0.15 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.821 0.701 . . . . 0.0 111.358 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.59 16.01 2.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.725 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.35 105.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 18.2 mt-30 -92.8 106.68 18.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.002 0.43 . . . . 0.0 110.728 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -95.25 130.96 41.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.415 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HA ' HG23 ' A' ' 4' ' ' THR . . . -64.42 131.83 48.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.72 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.64 152.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.357 0.599 . . . . 0.0 111.624 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.2 158.82 34.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.416 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.01 -17.05 62.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.806 0.336 . . . . 0.0 111.043 -174.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.97 -14.03 56.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.738 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.75 53.7 1.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.764 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -137.78 137.25 38.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.1 108.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.94 0.4 . . . . 0.0 111.264 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -109.41 72.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.62 0.724 . . . . 0.0 109.316 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -167.94 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.273 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt 55.69 -118.03 1.2 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 65.06 -74.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.844 0.715 . . . . 0.0 111.991 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.61 -63.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.416 ' CE3' ' HD2' ' A' ' 54' ' ' ARG . 88.7 t90 69.97 113.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.872 0.733 . . . . 0.0 110.786 -174.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.94 153.78 37.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.719 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.98 -33.11 60.92 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.33 59.36 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.037 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.25 -41.22 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 109.978 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.75 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.268 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -59.01 -53.03 62.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 91.4 t -64.25 -41.2 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.406 ' HB3' ' HD1' ' A' ' 102' ' ' PHE . 32.4 tpp -59.71 -46.91 87.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.168 0.509 . . . . 0.0 110.075 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 40' ' ' LEU . . . -66.25 -35.02 79.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.112 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -58.36 -41.59 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.129 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 22.0 mt-30 -66.02 -46.75 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 1.2 m-20 -76.66 -14.42 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.18 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER 68.69 22.54 7.42 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.449 0.468 . . . . 0.0 110.907 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 9.0 tt -106.07 114.65 28.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.851 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -69.13 125.36 26.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.385 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.52 112.92 24.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.27 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -95.03 -175.49 3.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.97 -33.49 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.265 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.23 -52.47 63.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.463 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.7 m80 -64.28 -48.68 74.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.794 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -58.63 -36.08 73.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.755 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.91 -41.9 86.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.725 0.298 . . . . 0.0 110.614 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.88 -40.38 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.542 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.8 mt -59.84 -48.89 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.22 176.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -62.37 -40.82 97.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.287 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 66.3 t80 -58.99 -48.71 80.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.52 -34.15 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.038 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HD2' ' CE3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -56.51 -55.74 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.56 -47.68 83.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . 41.2 t80 -60.17 -45.98 91.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -76.63 -37.37 56.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.326 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.04 -13.83 59.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 111.021 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -109.95 -48.12 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' TYR . 93.4 m-85 -91.2 -16.18 28.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.3 26.78 13.74 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.776 0.43 . . . . 0.0 111.452 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.56 140.89 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.534 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.13 112.05 65.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -84.56 142.38 9.27 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.52 2.147 . . . . 0.0 113.499 -173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 -178.97 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.46 -38.51 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.955 0.407 . . . . 0.0 110.237 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -53.36 -35.5 60.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.685 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.71 -45.11 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -56.64 -41.56 77.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.526 -177.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 m -56.78 -41.14 77.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 111.876 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.12 -26.18 31.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 111.075 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.577 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -69.67 -42.0 74.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.286 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.689 HG11 HD21 ' A' ' 77' ' ' LEU . 75.7 t -60.53 -25.09 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.706 176.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.01 -22.05 64.35 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.832 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -87.61 -22.97 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.207 0.527 . . . . 0.0 110.181 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -88.82 -61.16 1.77 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.689 HD21 HG11 ' A' ' 73' ' ' VAL . 4.3 mm? -83.45 -21.49 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -175.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.15 -176.62 17.58 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.542 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -85.47 9.66 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.303 . . . . 0.0 111.294 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.677 ' HG3' ' HD2' ' A' ' 81' ' ' LYS . 9.1 pt-20 -120.34 5.78 10.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 111.338 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.677 ' HD2' ' HG3' ' A' ' 80' ' ' GLU . 8.8 mptt -129.97 161.96 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.17 4.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 65.84 -73.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.235 0.614 . . . . 0.0 111.658 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.6 t -178.28 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -58.77 -37.73 76.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.015 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.497 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.1 t80 -64.62 -32.95 74.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.668 0.27 . . . . 0.0 110.761 -176.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.2 mt -84.36 -32.1 24.41 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.241 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -76.64 -9.33 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.248 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 p -99.69 -32.45 11.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.204 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 40.5 mt -63.21 -51.28 66.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.007 0.432 . . . . 0.0 110.052 172.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -122.46 90.18 49.45 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.632 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.1 0.3 6.86 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.874 2.382 . . . . 0.0 112.651 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -110.76 10.1 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 109.96 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.3 105.18 2.14 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.768 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 83.1 Cg_exo -46.79 -66.87 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.632 2.888 . . . . 0.0 113.72 -174.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.56 80.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.659 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -68.94 -39.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.153 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -77.33 -38.69 49.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.673 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.505 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.954 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.6 p -69.93 -28.19 65.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -62.82 -39.41 94.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.69 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.406 ' HD1' ' HB3' ' A' ' 34' ' ' MET . 25.2 m-85 -84.17 -31.6 25.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.806 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.03 36.81 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.999 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.69 44.11 13.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.602 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.954 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 58.8 mt -117.16 134.37 23.05 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -82.05 48.35 2.79 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.879 2.386 . . . . 0.0 113.338 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 9.8 mtpm? 70.54 127.53 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 123.681 0.613 . . . . 0.0 112.365 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 10.8 Cg_exo . . . . . 0 CA--C 1.529 0.263 0 C-N-CA 123.119 2.546 . . . . 0.0 111.455 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 2.8 p -134.64 120.19 19.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.815 0.34 . . . . 0.0 110.835 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.4 pt -89.91 136.35 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.65 106.71 19.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.221 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.43 118.51 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 67.4 -74.93 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.662 0.601 . . . . 0.0 111.02 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.67 16.1 0.32 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -116.05 143.61 45.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 88.0 mt-30 -107.46 105.4 15.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.171 0.51 . . . . 0.0 109.751 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -91.18 123.67 34.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.472 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.21 127.81 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.97 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -124.99 158.32 32.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.325 0.583 . . . . 0.0 111.948 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.02 151.1 48.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.409 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.53 -17.4 63.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -95.97 -18.27 20.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.647 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 114.76 65.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.91 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.3 152.35 48.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 HD23 HG13 ' A' ' 30' ' ' VAL . 25.5 tp -84.29 121.16 27.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.463 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 m -92.29 11.17 26.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.186 0.517 . . . . 0.0 110.654 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -134.32 90.41 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.954 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.3 mt -88.06 13.75 10.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.878 0.371 . . . . 0.0 111.263 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.97 -46.26 30.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.345 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -99.01 -90.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.407 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.423 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 85.1 t90 62.54 102.95 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.524 0.73 . . . . 0.0 111.615 -175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.71 159.77 29.72 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.54 -34.06 32.67 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.65 2.233 . . . . 0.0 112.858 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.58 58.47 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.122 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 HD23 ' A' ' 20' ' ' LEU . 89.8 t -65.57 -42.96 94.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.39 76.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.714 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -56.32 -57.14 13.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.175 0.512 . . . . 0.0 110.324 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.02 -37.25 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.825 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.9 tpp -66.96 -49.22 66.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . . . -64.85 -32.59 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -59.73 -35.63 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 37' ' ' GLN . 14.5 mm-40 -66.81 -42.08 86.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.989 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.73 -4.68 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.958 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 39' ' ' ASN . 0.9 OUTLIER 63.66 27.8 14.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.917 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.0 tp -99.23 139.5 34.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.284 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -82.31 130.33 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.72 94.06 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.594 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.48 ' HG1' ' CE1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -92.21 -171.79 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.089 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -50.1 -53.12 29.43 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.989 0.423 . . . . 0.0 111.506 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.543 ' O ' HG12 ' A' ' 49' ' ' ILE . 27.2 mt-10 -68.76 -41.1 79.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.223 -175.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.48 ' CE1' ' HG1' ' A' ' 43' ' ' THR . 78.1 m80 -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.352 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -63.16 -40.64 98.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 37.2 t70 -73.17 -25.22 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.249 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -68.12 -44.96 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 102' ' ' PHE . 44.0 mm -62.78 -44.7 99.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.552 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 31.9 t30 -55.12 -47.09 75.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.627 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 73.9 t80 -60.86 -43.73 97.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.551 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 HD22 HD12 ' A' ' 69' ' ' LEU . 32.7 mt -61.62 -38.89 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 110.395 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 17.6 tpt180 -60.71 -49.16 78.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.362 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.0 mt-10 -61.46 -48.4 81.32 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 110.781 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.65 -41.8 98.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.952 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 61.4 t80 -69.75 -38.78 76.92 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.548 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -42.28 85.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.099 -0.375 . . . . 0.0 111.646 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.64 -46.75 11.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.89 -16.6 25.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.577 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 12.6 tp60 63.17 23.97 14.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.088 0.47 . . . . 0.0 111.217 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 tt -139.46 144.89 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 122.26 -0.275 . . . . 0.0 110.646 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 108' ' ' PRO . . . -95.34 125.69 48.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.18 149.04 35.43 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.457 2.105 . . . . 0.0 113.019 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.78 178.2 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.446 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -60.13 -43.85 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 110.279 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -65.65 -39.31 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.23 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD12 HD22 ' A' ' 53' ' ' LEU . 63.2 tp -61.12 -50.26 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.127 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 m -56.13 -42.77 77.42 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.994 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.68 -47.01 77.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.045 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.522 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -72.16 -39.6 68.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.672 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 69' ' ' LEU . 97.5 t -63.29 -30.81 50.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -72.29 8.44 6.83 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.943 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -132.97 -45.64 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.666 0.27 . . . . 0.0 110.344 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -63.3 -44.93 93.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 tp -98.11 -38.66 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.022 0.439 . . . . 0.0 110.357 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 155.65 152.71 6.3 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.218 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -65.18 -41.53 94.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.017 0.437 . . . . 0.0 111.101 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -87.93 -29.18 21.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.522 0.677 . . . . 0.0 109.761 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -72.78 -41.81 64.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.707 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.42 60.18 4.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -90.43 151.08 21.56 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.53 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 24.9 m -57.9 -50.47 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.291 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -58.27 -36.29 73.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.25 -43.8 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.353 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.2 -40.85 97.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.243 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.53 ' HD1' ' O ' ' A' ' 84' ' ' SER . 63.9 m-85 -73.73 -17.79 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.26 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 m -83.52 -30.74 26.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.491 . . . . 0.0 109.729 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.61 -50.97 18.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.791 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.9 m-85 -120.36 96.71 49.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.84 -25.09 39.53 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.201 2.601 . . . . 0.0 113.288 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -93.73 14.37 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 110.864 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.06 116.58 3.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.756 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.502 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 72.3 Cg_exo -49.76 -56.03 3.54 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.352 2.701 . . . . 0.0 112.776 -177.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.92 80.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.416 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.2 -54.13 50.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.566 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.438 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.8 mm-40 -63.58 -47.53 81.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.31 84.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.848 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -62.68 -35.85 81.01 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.41 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.647 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 39.2 ttm180 -58.62 -44.65 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.967 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 35' ' ' ALA . 13.5 m-85 -79.65 -31.94 41.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.376 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.09 -10.09 59.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.57 12.35 67.11 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.61 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 88.3 mt -86.21 142.33 35.72 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.41 -179.96 3.6 Favored 'Trans proline' 0 CA--C 1.527 0.161 0 C-N-CA 122.446 2.098 . . . . 0.0 111.572 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -50.41 107.16 0.74 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 123.521 0.513 . . . . 0.0 111.403 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.477 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 14.4 Cg_endo . . . . . 0 N--CA 1.456 -0.72 0 C-N-CA 123.252 2.635 . . . . 0.0 112.946 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 C--O 1.231 0.124 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.5 p -138.47 157.49 46.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.846 0.355 . . . . 0.0 111.765 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 pt -126.49 143.58 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.09 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -91.81 104.14 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 0.0 110.355 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.03 85.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.601 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 55.85 81.13 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.807 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 19.5 59.37 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.528 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -145.32 139.29 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.11 116.19 30.71 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.046 0.451 . . . . 0.0 110.252 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -98.21 126.7 43.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.393 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 22' ' ' ASN . . . -70.15 118.15 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.032 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.02 157.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.15 162.97 18.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.78 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.97 -22.85 67.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.684 0.278 . . . . 0.0 111.055 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -74.15 -11.48 60.31 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 175.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.96 17.24 54.46 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 14.2 m-85 -93.25 -175.55 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.729 0.412 . . . . 0.0 110.227 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.93 108.91 21.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -83.41 -27.79 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.0 110.344 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.536 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 18.1 t-20 -85.83 78.58 9.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 109.995 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.71 114.35 9.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.42 -60.21 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.552 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.485 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 36.0 t70 -141.92 -49.66 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.528 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.485 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 77.3 t90 74.03 133.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.867 0.729 . . . . 0.0 111.647 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 m -118.25 150.17 47.16 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.737 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.39 -28.81 74.55 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.692 2.261 . . . . 0.0 112.593 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.31 64.81 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.838 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.34 -46.76 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.82 94.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.446 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.07 -56.49 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.492 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.15 -26.52 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.956 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.558 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 50.6 ttm -75.37 -48.49 22.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.726 0.298 . . . . 0.0 110.43 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.94 63.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.39 -43.76 96.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.111 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -70.89 -36.16 72.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -9.93 59.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.537 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 54.16 45.14 28.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.825 0.821 . . . . 0.0 110.236 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -113.36 110.27 20.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.403 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.64 109.44 3.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.784 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.17 103.5 10.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -87.97 -178.88 6.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.515 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.76 -43.19 80.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 49' ' ' ILE . 1.7 mp0 -57.85 -44.33 86.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.686 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.41 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.8 m80 -64.77 -49.16 71.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.674 178.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -60.63 -36.74 79.38 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.348 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.23 -41.5 89.98 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.517 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.7 mm -63.07 -43.43 98.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.107 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 46' ' ' HIS . 89.2 mt -60.03 -50.6 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.366 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -60.4 -47.21 87.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.084 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.65 -37.9 85.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD22 ' HD2' ' A' ' 64' ' ' PRO . 1.2 tt -71.25 -40.8 70.8 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 54' ' ' ARG . 23.5 tpt85 -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.967 175.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.12 -42.5 80.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.665 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.19 -42.56 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -66.08 -45.94 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.839 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -62.76 -35.72 80.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 111.077 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -84.61 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.775 -175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.0 -8.13 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 64.82 21.74 12.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -122.05 141.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.227 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.81 104.46 9.35 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.459 ' HD2' HD22 ' A' ' 53' ' ' LEU . 45.0 Cg_endo -69.61 122.9 9.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.698 2.265 . . . . 0.0 113.012 -174.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 174.93 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.725 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.68 -46.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -65.07 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.249 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.4 t -75.16 -49.9 26.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' O ' HG22 ' A' ' 73' ' ' VAL . 58.2 tp -59.03 -48.6 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.038 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.0 m -61.91 -33.99 75.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 111.207 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -73.93 -30.95 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.989 0.423 . . . . 0.0 110.284 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.16 60.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.179 0.514 . . . . 0.0 110.605 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 69' ' ' LEU . 77.4 t -61.56 -27.13 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.122 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -70.93 -3.36 51.02 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.564 -0.743 . . . . 0.0 113.02 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -103.86 -53.27 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.553 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.63 -42.7 16.4 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' HB2' HG11 ' A' ' 73' ' ' VAL . 3.7 mm? -88.4 -45.33 10.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.188 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 158.14 166.64 17.76 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.045 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.5 -32.05 64.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 0.0 110.879 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -31.3 21.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.393 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.79 -37.47 64.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.638 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.61 60.75 4.65 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.699 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -129.44 -73.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.486 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 66.4 m -163.46 -59.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -177.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -48.53 -49.98 33.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.107 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 63.6 t80 -58.05 -48.67 79.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.648 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 73' ' ' VAL . 4.2 mm? -69.35 -38.0 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.7 -176.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.486 ' HD1' ' O ' ' A' ' 84' ' ' SER . 66.9 m-85 -76.83 -21.8 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.344 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 p -82.26 -21.66 36.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.514 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.0 mt -82.29 -52.55 6.82 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.938 0.399 . . . . 0.0 110.328 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.533 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 65.6 m-85 -125.52 90.58 50.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.244 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.51 -18.48 38.14 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.907 2.404 . . . . 0.0 112.401 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -91.09 5.7 47.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.186 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.51 105.61 1.33 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.823 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.533 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 82.2 Cg_exo -46.57 -66.25 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.657 2.905 . . . . 0.0 113.205 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.76 69.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.416 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 3.3 mmmp? -59.5 -49.93 75.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -176.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.66 -41.34 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.081 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.58 -50.78 72.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.5 p -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.038 0.447 . . . . 0.0 110.639 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.558 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 45.7 ttt180 -61.73 -46.96 87.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.443 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -74.47 -23.03 58.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.19 -7.34 55.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.443 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . 80.08 33.31 33.17 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.578 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.505 ' O ' ' HD2' ' A' ' 19' ' ' TYR . 72.6 mt -102.23 163.33 17.92 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 173.87 11.0 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.207 1.938 . . . . 0.0 111.287 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -79.04 116.21 58.35 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.336 0.588 . . . . 0.0 111.096 -174.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 6.2 Cg_exo . . . . . 0 N--CA 1.457 -0.667 0 C-N-CA 123.002 2.468 . . . . 0.0 111.105 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.776 0.798 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.53 HG21 ' HA ' ' A' ' 13' ' ' ALA . 75.0 p -119.77 147.06 45.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.844 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.544 ' CG1' ' HB2' ' A' ' 12' ' ' PHE . 31.2 pt -88.87 125.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.82 107.01 19.22 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.491 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.19 107.7 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 71.66 -1.45 2.8 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.743 0.652 . . . . 0.0 111.137 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -18.17 8.3 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -85.51 138.21 32.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.78 113.96 27.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.096 0.474 . . . . 0.0 111.527 -173.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.544 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 93.4 m-85 -94.36 121.37 35.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.993 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -64.17 121.23 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.468 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 20' ' ' LEU . 28.1 m -128.68 155.88 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.953 176.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 -175.35 3.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.713 0.292 . . . . 0.0 110.842 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.3 -27.46 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.45 0.67 55.19 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.735 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.31 13.76 65.21 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.583 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.52 133.33 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.32 0.56 . . . . 0.0 110.426 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HA ' HG13 ' A' ' 14' ' ' VAL . 31.7 tp -70.24 114.46 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.246 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -75.55 -22.19 57.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.325 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -98.54 88.41 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 111.357 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.09 84.05 7.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.231 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -178.65 -48.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.128 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.09 11.67 24.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.838 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -51.44 133.14 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.818 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.28 161.47 61.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.332 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -53.06 -36.6 76.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.653 2.235 . . . . 0.0 112.778 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.47 -27.33 63.27 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.9 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 HD13 ' A' ' 5' ' ' ILE . 75.1 t -59.31 -49.77 82.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.34 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.67 79.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.943 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.21 -57.46 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.191 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 60.2 t -63.05 -38.32 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 42.0 ttm -64.72 -41.01 96.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.63 76.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.019 0.438 . . . . 0.0 110.305 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.85 -33.86 76.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.117 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 27.9 mt-30 -74.09 -36.62 64.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.19 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -86.44 -11.21 52.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.92 76.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.806 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.1 tp -150.95 142.44 23.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.963 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -94.04 143.21 26.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.68 101.36 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.068 0.461 . . . . 0.0 110.989 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -91.76 -175.21 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.833 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.12 -43.32 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.279 . . . . 0.0 110.683 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.559 ' O ' HG13 ' A' ' 49' ' ' ILE . 1.9 pm0 -65.85 -36.33 83.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -63.53 -50.01 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -62.13 -40.8 97.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -35.57 81.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.313 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 45' ' ' GLU . 72.1 mt -66.83 -45.48 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 110.377 176.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -62.08 -43.1 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.467 . . . . 0.0 109.927 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.73 -40.91 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.568 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.59 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 61.9 t80 -61.72 -41.57 97.81 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 69' ' ' LEU . 90.2 mt -70.31 -39.46 74.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.3 tpt85 -56.59 -47.19 80.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.224 174.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.63 -53.04 31.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.125 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.67 -41.68 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.879 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 75.3 t80 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.05 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.74 -37.47 70.56 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -79.14 -65.32 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.13 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -78.66 -16.79 56.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.702 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 24.9 mm-40 64.29 26.22 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.789 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.66 143.7 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.102 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -99.66 128.78 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.322 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -82.22 140.23 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.234 2.623 . . . . 0.0 113.046 -177.398 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.95 179.74 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.218 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.64 -40.63 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.601 0.238 . . . . 0.0 111.525 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -70.51 -36.04 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.08 0.467 . . . . 0.0 110.723 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 t -75.5 -40.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 53' ' ' LEU . 56.0 tp -61.86 -52.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -55.81 -36.4 67.4 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.262 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -55.7 -47.96 75.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.601 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.36 -38.98 55.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.979 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.496 HG11 HD22 ' A' ' 87' ' ' LEU . 73.2 t -55.49 -42.42 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.465 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -59.34 -42.7 97.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.891 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -80.12 -34.92 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 111.0 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HE2' ' HB2' ' A' ' 52' ' ' PHE . 46.3 tttp -72.3 -45.72 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.92 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.487 HD11 HG12 ' A' ' 73' ' ' VAL . 11.0 mp -80.43 -33.27 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.29 -97.08 0.16 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.8 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -139.09 -73.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 111.811 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -80.92 -7.21 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 111.557 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.23 -6.06 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.302 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.465 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -120.77 81.76 0.34 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.735 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -142.95 -66.62 0.38 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.4 p -174.79 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.487 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -49.19 -59.74 3.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.068 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.92 -40.52 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD22 HG11 ' A' ' 73' ' ' VAL . 29.1 mt -75.68 -33.27 60.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -79.95 -11.05 59.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.92 0.391 . . . . 0.0 110.811 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -85.66 -27.76 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.53 -55.29 5.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 94.6 m-85 -118.32 105.26 46.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.723 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.11 -8.81 20.27 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.717 2.278 . . . . 0.0 113.63 -174.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.19 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.303 0.573 . . . . 0.0 109.831 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.8 110.77 0.42 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.973 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.49 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 6.6 Cg_endo -49.32 -54.55 5.27 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.314 2.676 . . . . 0.0 112.783 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.01 67.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -67.63 -42.29 82.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.601 -173.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.404 ' OE1' ' HB3' ' A' ' 91' ' ' PHE . 50.7 mt-30 -70.49 -42.91 70.75 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.68 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.97 81.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.6 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.771 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -63.47 -37.27 86.65 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.71 -45.63 77.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.769 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.01 -31.11 72.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.4 52.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.459 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 95.61 6.88 59.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.422 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.771 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.4 mt -85.73 121.74 73.2 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 122.763 -0.257 . . . . 0.0 110.572 -177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 19.2 Cg_endo -60.26 159.07 28.04 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.545 2.163 . . . . 0.0 110.9 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.516 ' H ' ' HD3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -50.67 109.07 1.18 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 111.578 -175.125 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo . . . . . 0 N--CA 1.455 -0.766 0 C-N-CA 123.157 2.572 . . . . 0.0 112.408 -176.839 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 13.7 p -138.32 137.3 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.935 0.398 . . . . 0.0 111.776 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.5 pt -105.08 137.2 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.166 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -88.39 109.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.059 0.457 . . . . 0.0 110.221 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.469 HG22 HG23 ' A' ' 33' ' ' VAL . 58.2 t -129.65 114.43 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.366 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 58.49 30.34 19.59 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.892 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -11.38 71.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.547 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -95.76 168.69 10.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.686 0.279 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.535 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 15.8 pt20 -128.92 105.95 8.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.448 0.642 . . . . 0.0 110.151 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' THR . 97.7 m-85 -91.8 134.4 34.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.163 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 126.14 30.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.249 0.547 . . . . 0.0 111.483 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.15 144.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.64 157.7 33.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.737 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.06 -30.46 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.397 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.38 -1.18 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.58 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.66 28.97 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.86 173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 92.5 m-85 -113.83 151.07 32.62 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.8 120.01 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.657 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.5 p -91.05 -18.2 24.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -106.18 95.8 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.937 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 104' ' ' GLY . 85.9 mt -94.84 -156.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.271 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' HB3' ' A' ' 23' ' ' LEU . 64.0 t30 78.16 -37.14 0.22 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.699 0.799 . . . . 0.0 111.218 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.39 -88.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.749 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.622 ' HE3' HH11 ' A' ' 54' ' ' ARG . 87.1 t90 63.25 125.66 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.62 0.768 . . . . 0.0 111.87 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.98 153.07 63.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.171 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -53.34 -28.37 43.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.105 2.537 . . . . 0.0 112.804 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' HG21 ' A' ' 33' ' ' VAL . . . -60.25 -29.04 67.83 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.35 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.44 -44.3 86.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.12 89.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -51.67 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 HG22 ' A' ' 7' ' ' VAL . 99.7 t -63.12 -42.84 98.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.684 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.41 ' HE1' ' HB2' ' A' ' 34' ' ' MET . 34.9 tpp -58.54 -54.02 51.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.65 78.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.502 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -55.93 -42.07 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.91 -36.89 80.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.5 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.16 3.45 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.605 0.24 . . . . 0.0 111.434 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.0 m120 66.9 53.8 0.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.296 0.57 . . . . 0.0 111.052 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -140.56 145.03 36.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.143 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -108.84 145.39 35.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -111.5 115.61 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.161 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.488 ' HB ' ' OE1' ' A' ' 44' ' ' GLU . 41.6 p -95.8 -174.95 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 1.7 pm0 -60.14 -31.49 70.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.205 0.526 . . . . 0.0 110.06 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' ILE . 37.9 mt-10 -60.9 -51.35 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.908 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.3 m80 -64.52 -46.93 80.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.855 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -58.82 -38.83 79.53 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.654 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.7 -40.95 92.8 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.56 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -65.38 -43.06 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.771 0.32 . . . . 0.0 110.471 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 46' ' ' HIS . 81.5 mt -60.5 -48.17 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.04 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.52 -40.63 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.014 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 81.1 t80 -60.92 -39.34 89.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.713 HD22 HD11 ' A' ' 69' ' ' LEU . 38.3 mt -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.006 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.622 HH11 ' HE3' ' A' ' 26' ' ' TRP . 20.2 ttt85 -61.22 -50.68 72.12 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.165 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.73 -34.26 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' PHE . 17.5 t80 -65.55 -40.75 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.088 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -75.72 -37.06 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.7 -42.3 88.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.08 -59.91 1.86 Allowed 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -81.36 -23.67 37.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.531 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 64.93 21.74 12.37 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -117.97 139.92 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.68 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.14 108.59 47.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.401 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 10.9 Cg_exo -70.28 134.95 28.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.912 2.408 . . . . 0.0 113.072 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.33 -178.48 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.98 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.82 -40.89 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.928 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.08 -38.78 89.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.1 t -78.82 -48.74 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.373 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.713 HD11 HD22 ' A' ' 53' ' ' LEU . 64.9 tp -57.02 -52.54 64.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.446 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -55.01 -47.46 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.484 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.07 -37.54 87.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.028 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.26 -32.81 69.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.795 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 69' ' ' LEU . 90.7 t -61.27 -43.1 95.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 110.684 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.15 12.12 7.34 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.974 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -105.56 -34.28 7.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 110.225 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -96.73 -49.95 4.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.277 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 81' ' ' LYS . 37.1 tp -70.61 -58.69 3.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.536 -169.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.87 158.53 31.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.417 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.38 -28.88 70.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -126.15 22.87 7.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 0.0 110.075 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HB3' HD21 ' A' ' 77' ' ' LEU . 48.0 mttm -112.92 84.55 2.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.076 174.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 37.91 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.48 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.48 -176.11 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.512 ' O ' ' HD2' ' A' ' 88' ' ' TYR . 10.2 m -54.48 -66.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.75 -24.97 67.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.102 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 21.2 t80 -56.2 -51.92 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.204 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.29 -35.01 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.306 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.512 ' HD2' ' O ' ' A' ' 84' ' ' SER . 49.6 m-85 -69.38 -27.33 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.674 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -82.62 -27.03 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.61 0.243 . . . . 0.0 110.937 175.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 85.7 mt -67.11 -56.47 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.0 110.011 175.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 90.2 m-85 -123.78 105.63 32.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.25 -43.57 22.91 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.982 2.455 . . . . 0.0 113.042 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.523 ' HB3' HE21 ' A' ' 98' ' ' GLN . 50.8 t80 -88.84 61.27 5.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.419 0.628 . . . . 0.0 110.437 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.39 110.06 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.681 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.535 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 84.2 Cg_exo -45.68 -55.1 3.82 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.403 2.735 . . . . 0.0 112.901 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.64 -39.41 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.543 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -61.88 -54.35 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.523 HE21 ' HB3' ' A' ' 93' ' ' TYR . 69.4 mm-40 -64.06 -49.62 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.25 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.602 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.589 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.3 p -66.87 -36.47 82.39 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.652 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.22 -38.04 87.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -74.13 -35.61 64.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.904 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.03 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.519 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 91.76 5.22 66.73 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.404 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 61.9 mt -78.36 140.62 60.73 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.71 160.32 37.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 111.909 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 19' ' ' TYR . 44.3 tttm -58.74 110.12 2.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.549 -176.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 C-N-CA 123.241 2.628 . . . . 0.0 113.269 -177.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.231 0.132 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.7 119.52 14.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 111.146 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.3 pt -94.06 137.04 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.768 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.03 110.0 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.311 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -112.01 84.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t70 40.98 80.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.534 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.49 -29.97 5.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.443 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.63 131.75 45.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.87 0.367 . . . . 0.0 111.392 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -102.89 106.64 17.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.904 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -98.4 119.87 37.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.11 0.481 . . . . 0.0 110.931 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.98 127.4 33.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.6 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.13 142.06 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.656 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -176.09 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.316 . . . . 0.0 110.72 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.17 -19.74 60.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.366 -173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.08 -0.72 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.249 0.547 . . . . 0.0 110.515 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.99 31.07 27.04 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.746 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -109.8 153.87 23.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.381 . . . . 0.0 110.532 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -71.06 119.21 14.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.2 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -86.09 -20.62 28.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 0.0 111.58 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.99 107.86 19.09 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD21 ' O ' ' A' ' 104' ' ' GLY . 74.4 mt -95.39 -177.01 3.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.822 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 52.55 18.95 1.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.813 1.245 . . . . 0.0 113.341 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.65 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 t90 30.84 106.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.698 1.599 . . . . 0.0 114.791 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.86 153.85 40.56 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.191 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.18 -30.37 50.42 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.743 2.295 . . . . 0.0 112.62 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 -31.0 75.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.827 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.3 t -59.27 -50.44 79.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.456 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.69 91.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.847 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 14.0 t70 -63.48 -56.81 13.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.541 HG13 HE21 ' A' ' 37' ' ' GLN . 81.4 t -60.82 -36.66 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.425 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 43.5 ttm -68.68 -42.55 77.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.783 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.58 91.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.367 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 1.6 mptm? -62.42 -31.97 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.541 HE21 HG13 ' A' ' 33' ' ' VAL . 77.2 mt-30 -74.84 -24.89 58.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -101.35 0.71 37.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.618 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 69.56 48.0 0.63 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.493 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.1 tp -135.04 140.67 45.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.85 153.58 18.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -118.78 110.11 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.8 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 p -93.62 -178.25 4.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.015 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.18 -31.0 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.021 0.439 . . . . 0.0 110.206 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' HH ' ' A' ' 86' ' ' TYR . 4.9 mm-40 -70.81 -44.6 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.797 178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -61.98 -47.01 86.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -59.93 -35.74 75.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.33 -38.29 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.698 0.285 . . . . 0.0 110.616 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.4 mm -67.17 -44.43 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.422 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.29 -44.77 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.978 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 15.2 t-20 -59.29 -44.85 92.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.646 176.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.54 -44.47 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 53' ' ' LEU . 14.0 mt -65.79 -37.96 87.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.84 -51.29 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 14.6 mm-40 -60.87 -46.94 88.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.503 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.68 -49.7 76.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -73.17 -37.65 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.382 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.77 -34.97 74.51 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.983 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.32 -40.68 12.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -104.07 -12.7 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 65.29 23.82 12.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.094 0.558 . . . . 0.0 111.275 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.87 129.87 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.36 109.06 43.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.26 143.86 22.73 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.46 2.107 . . . . 0.0 112.664 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.29 -176.05 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.445 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -47.62 -57.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -58.39 -45.97 87.28 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.776 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.03 -46.77 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.981 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.532 ' O ' HG21 ' A' ' 73' ' ' VAL . 54.7 tp -60.62 -51.21 70.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.715 HG23 ' H ' ' A' ' 84' ' ' SER . 22.4 m -62.61 -28.63 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.34 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.71 -34.98 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.08 -27.56 43.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.559 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 69' ' ' LEU . 96.4 t -60.35 -35.97 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.778 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.68 -11.85 63.35 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.256 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -93.73 -22.85 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.841 0.353 . . . . 0.0 110.49 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HD3' ' C ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -101.75 -62.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 109.894 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.61 -33.39 60.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.66 171.78 13.62 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 80' ' ' GLU . 35.5 mtmm -77.79 150.66 34.28 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 45.3 mt-10 75.38 -39.41 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.794 0.684 . . . . 0.0 110.422 -173.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -81.08 -0.86 41.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.815 0.817 . . . . 0.0 109.055 168.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.59 172.4 21.91 Favored Glycine 0 N--CA 1.438 -1.182 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 172.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.411 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.3 t30 65.5 94.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.534 0.683 . . . . 0.0 112.035 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.715 ' H ' HG23 ' A' ' 70' ' ' THR . 8.8 t 68.95 -79.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.943 171.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -47.64 -67.64 0.26 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -167.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' HH ' ' HG3' ' A' ' 45' ' ' GLU . 3.0 t80 -62.72 -34.89 78.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.804 -170.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.6 mm? -68.0 -40.68 82.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.264 . . . . 0.0 110.919 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.421 ' HD2' ' O ' ' A' ' 84' ' ' SER . 55.7 m-85 -76.18 -20.32 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.745 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.5 m -83.01 -30.46 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.558 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 78.9 mt -78.1 -49.71 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.522 176.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.516 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 58.6 m-85 -116.9 92.52 39.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.435 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -71.29 -13.01 30.57 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.527 2.152 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.93 4.08 54.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.497 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.464 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 122.43 109.66 2.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.882 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.0 Cg_endo -48.2 -65.85 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.733 2.955 . . . . 0.0 113.404 -176.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.84 80.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.115 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -54.06 -53.62 50.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -71.72 -46.75 57.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.135 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.94 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.638 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.716 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.2 p -70.21 -33.88 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.469 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.425 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 78.9 ttt180 -60.83 -49.17 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.64 -28.16 66.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.6 -13.19 59.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.515 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 95.3 -1.76 64.85 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.716 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.8 mt -65.54 122.47 80.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.735 0.302 . . . . 0.0 110.537 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 71.8 Cg_endo -75.51 48.04 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.424 2.75 . . . . 0.0 113.277 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 106' ' ' PRO . 49.9 mtmt 75.01 123.92 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.967 0.792 . . . . 0.0 111.861 178.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 13.7 Cg_exo . . . . . 0 C--O 1.236 0.391 0 C-N-CA 122.909 2.406 . . . . 0.0 111.33 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.441 -0.901 0 CA-C-O 121.337 0.589 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.486 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.5 p -135.27 139.38 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.364 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.473 HD11 HG12 ' A' ' 30' ' ' VAL . 32.9 pt -99.52 141.59 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -97.84 107.95 20.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 110.532 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.66 101.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.773 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 58.45 55.61 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.694 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.15 -21.21 7.2 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.782 -0.644 . . . . 0.0 113.292 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -104.4 142.64 34.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -104.3 134.22 47.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.083 0.468 . . . . 0.0 111.23 -175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.78 134.12 55.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.207 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -70.51 125.99 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.514 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.512 HG13 ' HA ' ' A' ' 20' ' ' LEU . 33.5 m -128.01 169.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.061 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.86 -175.56 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -69.49 -19.24 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.616 0.246 . . . . 0.0 111.422 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.29 -28.76 23.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.318 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.69 0.67 12.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 101' ' ' ARG . 20.8 m-85 -65.06 125.9 26.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.802 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 31.9 tp -54.45 104.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.449 0.468 . . . . 0.0 110.15 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -94.79 -2.46 50.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -107.34 82.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 89.51 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.274 0.559 . . . . 0.0 111.041 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -96.72 -37.64 10.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.408 176.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 13.7 t70 -166.79 -38.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.689 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.513 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 83.5 t90 79.72 122.68 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.095 0.872 . . . . 0.0 110.951 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -115.14 151.86 46.13 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.688 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -49.95 -34.95 39.23 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.296 2.664 . . . . 0.0 113.165 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.3 67.09 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.791 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG12 HD11 ' A' ' 5' ' ' ILE . 78.3 t -60.94 -48.16 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.64 78.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.785 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.24 -55.1 39.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.563 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.19 -37.46 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.47 . . . . 0.0 110.517 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.521 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 34.5 ttm -68.27 -45.37 73.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.898 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -33.72 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.372 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.02 -21.13 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.041 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.17 -31.03 15.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.437 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.39 -12.64 59.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 69.56 47.3 0.67 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.539 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.2 tp -133.41 141.88 48.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.81 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -84.09 139.88 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.45 95.22 6.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 110.177 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.0 m -95.5 166.6 11.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.759 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -51.4 -33.11 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 49' ' ' ILE . 13.8 mm-40 -56.15 -58.9 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.146 172.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -61.1 -41.22 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.174 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -56.73 -42.96 80.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.518 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.432 ' CG ' ' HZ1' ' A' ' 76' ' ' LYS . 16.0 t70 -76.1 -28.48 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.881 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.2 mm -63.78 -46.79 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.466 HG22 ' HB3' ' A' ' 103' ' ' ALA . 69.9 mt -64.7 -41.67 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.933 175.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 38.5 t30 -57.29 -49.68 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.893 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 mt -64.98 -36.09 83.29 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.588 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -67.01 -48.54 68.07 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.685 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 45.7 mt-10 -53.21 -44.24 67.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.817 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -77.23 -39.13 49.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.693 0.282 . . . . 0.0 111.534 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -70.0 -30.15 67.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.778 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.01 -64.79 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.556 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -75.84 -9.42 58.58 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.666 -172.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.73 19.97 11.45 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.868 0.467 . . . . 0.0 111.792 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 tt -136.95 144.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.845 0.355 . . . . 0.0 110.758 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.95 121.59 47.34 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.925 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -83.9 164.68 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.942 2.428 . . . . 0.0 113.64 -174.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.2 -180.0 5.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -54.66 -47.27 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 123.101 0.251 . . . . 0.0 111.647 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.72 -51.11 68.46 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.06 0.457 . . . . 0.0 110.977 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.82 -46.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.936 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 73' ' ' VAL . 65.8 tp -56.73 -56.97 14.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.33 -178.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.501 HG23 HD22 ' A' ' 87' ' ' LEU . 19.1 m -55.87 -37.0 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.06 -175.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -82.65 -28.42 30.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.29 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.66 55.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.976 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 69' ' ' LEU . 86.1 t -57.72 -29.52 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 176.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -69.6 -10.35 63.55 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.375 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.12 -19.8 15.61 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.612 -0.346 . . . . 0.0 111.215 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HZ1' ' CG ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -117.3 -35.68 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.818 -169.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -100.3 -45.61 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.844 0.354 . . . . 0.0 110.514 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 171.0 149.18 6.34 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -73.58 -15.09 61.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.279 0.539 . . . . 0.0 111.746 -173.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -77.84 -24.37 48.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 8.8 mptt -87.93 110.23 20.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.326 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.91 -25.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.261 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -63.32 139.82 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 174.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -59.74 -26.96 66.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.655 0.264 . . . . 0.0 110.618 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -46.56 -45.46 18.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.97 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -59.69 -58.51 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.983 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.501 HD22 HG23 ' A' ' 70' ' ' THR . 4.4 mm? -69.71 -34.26 73.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.745 -174.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.32 -6.83 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.2 m -94.19 -30.54 14.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.75 -44.97 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.505 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 82.9 m-85 -121.98 103.23 39.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.281 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.05 -5.54 14.55 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.1 2.534 . . . . 0.0 113.021 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.26 16.12 13.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.86 101.75 2.12 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.337 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.505 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 72.5 Cg_exo -49.3 -60.37 0.89 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.43 2.753 . . . . 0.0 112.956 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.65 76.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' HA ' ' HG ' ' A' ' 100' ' ' CYS . 54.6 tttp -72.22 -44.97 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -172.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -68.47 -43.78 76.23 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.21 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.72 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.757 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.5 p -69.0 -27.71 65.94 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.523 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.517 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 44.0 ttm180 -61.34 -50.19 73.95 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.521 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 23.0 m-85 -64.67 -33.91 77.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.057 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HB3' HG22 ' A' ' 50' ' ' ILE . . . -78.0 -23.18 48.42 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.388 0.43 . . . . 0.0 111.549 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.802 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 86.89 30.52 20.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.444 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 75.9 mt -86.76 116.66 66.78 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.94 86.8 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.225 2.617 . . . . 0.0 113.312 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HA ' ' HD2' ' A' ' 108' ' ' PRO . 14.0 ptmm? 35.57 88.24 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 124.587 1.155 . . . . 0.0 113.115 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 9.4 Cg_endo . . . . . 0 C--O 1.235 0.37 0 C-N-CA 123.639 2.892 . . . . 0.0 113.124 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 21.5 p -136.53 131.82 34.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -176.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.489 HD12 HG12 ' A' ' 30' ' ' VAL . 30.2 pt -95.22 128.27 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -93.56 102.35 14.54 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.289 0.566 . . . . 0.0 110.75 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.09 129.46 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.078 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t70 65.98 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.588 0.555 . . . . 0.0 110.172 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 8.42 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -112.61 137.37 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.521 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 0.4 OUTLIER -89.07 108.66 19.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.094 176.06 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.01 124.41 35.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.01 123.32 21.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.629 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 20' ' ' LEU . 23.5 m -133.09 152.68 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.009 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -179.08 5.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.61 -25.11 60.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.62 -18.23 56.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.109 0.481 . . . . 0.0 109.762 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.53 17.61 13.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.299 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -87.02 139.91 30.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.065 0.432 . . . . 0.0 110.452 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.699 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 54.5 tp -63.81 116.73 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -84.27 -21.33 31.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.111 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -106.84 88.47 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.212 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.97 105.03 16.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -147.47 -71.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.422 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.34 -62.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 66.9 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.721 0.638 . . . . 0.0 111.259 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.75 155.59 77.03 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.619 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.04 -34.32 46.4 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.887 2.391 . . . . 0.0 112.639 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.43 -27.66 63.65 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.126 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG12 HD12 ' A' ' 5' ' ' ILE . 84.6 t -65.33 -50.7 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.03 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.92 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.084 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.4 -39.31 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.984 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.96 -46.77 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.261 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.84 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.736 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.14 -25.24 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.518 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -74.79 -50.99 15.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.248 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -16.57 64.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.874 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 t30 66.1 61.77 0.61 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.722 0.772 . . . . 0.0 109.974 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 tp -129.51 113.45 14.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.461 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.96 101.1 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.45 103.91 3.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -91.98 -176.36 4.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.481 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.54 -37.3 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.542 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 49' ' ' ILE . 36.5 mt-10 -72.34 -37.2 68.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.579 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.31 -47.27 71.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -61.4 -35.31 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.451 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.22 -38.14 75.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.953 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.0 mm -62.0 -47.37 93.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.195 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -44.32 91.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.068 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.7 t30 -55.31 -49.76 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.991 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' HZ ' ' HB3' ' A' ' 72' ' ' ALA . 65.6 t80 -61.29 -38.7 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 53' ' ' LEU . 24.3 mt -62.88 -37.5 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.007 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -69.06 -41.34 77.71 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.928 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 50.8 mt-10 -56.45 -51.92 66.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.596 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.08 -39.92 87.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -68.38 -45.77 71.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.24 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.46 -17.9 62.99 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.97 -49.89 6.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -109.23 -6.25 15.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 59.98 28.91 18.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.375 0.607 . . . . 0.0 110.527 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -122.4 124.89 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.801 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.59 110.96 50.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.51 162.57 21.98 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.589 2.193 . . . . 0.0 113.565 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.24 -162.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.614 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.18 -65.52 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -70.67 -27.53 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.666 0.269 . . . . 0.0 111.055 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.12 -40.5 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.074 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.576 ' O ' HG21 ' A' ' 73' ' ' VAL . 67.6 tp -64.23 -50.38 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.345 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -48.42 -42.5 32.33 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.726 0.641 . . . . 0.0 112.04 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -56.87 -43.61 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.543 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' HZ ' ' A' ' 52' ' ' PHE . . . -90.51 -7.88 51.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.748 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 69' ' ' LEU . 73.5 t -63.72 -31.38 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.5 176.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.66 -24.53 69.71 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.732 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -86.98 -25.78 24.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HG3' HD11 ' A' ' 77' ' ' LEU . 60.2 tptt -89.09 -60.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.392 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD13 HG11 ' A' ' 73' ' ' VAL . 10.4 mp -86.38 -66.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.561 -174.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.03 -170.83 43.21 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.016 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -78.56 110.93 14.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.798 0.332 . . . . 0.0 110.717 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 61.91 12.62 4.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.949 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.28 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.415 ' HA3' HG13 ' A' ' 73' ' ' VAL . . . -76.69 -40.4 26.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p30 38.43 -96.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 112.819 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -168.35 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.23 -39.18 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.505 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -59.0 -45.03 91.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 2.7 mm? -61.83 -40.62 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.58 -18.03 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.707 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -81.37 -31.11 33.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.993 0.425 . . . . 0.0 110.004 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.4 mt -71.06 -47.77 56.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.87 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.528 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 55.2 m-85 -124.04 95.29 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.08 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.22 -22.25 61.11 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 123.243 2.628 . . . . 0.0 112.869 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -84.79 -7.88 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.083 0.468 . . . . 0.0 110.406 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.05 119.03 2.09 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.306 -0.717 . . . . 0.0 111.306 -175.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.528 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 10.3 Cg_endo -52.18 -56.76 2.6 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.514 2.809 . . . . 0.0 112.829 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.84 76.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -51.14 -60.24 3.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.84 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -68.97 -42.48 76.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.466 -175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.27 90.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.613 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -70.84 -34.18 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 110.252 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -58.7 -52.23 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.679 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -68.1 -26.68 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.48 -20.69 54.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 111.522 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.699 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 99.14 17.54 26.99 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.894 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 92.9 mt -87.15 114.84 60.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.76 84.17 1.28 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 123.094 2.53 . . . . 0.0 113.596 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 mttm 54.2 65.63 5.1 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.153 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--N 1.346 0.418 0 C-N-CA 122.977 2.451 . . . . 0.0 112.893 -172.72 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 13' ' ' ALA . 35.8 p -125.57 127.82 46.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.814 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.52 HG13 ' HB2' ' A' ' 12' ' ' PHE . 19.6 pt -89.54 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 109.996 174.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.12 109.31 20.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.506 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.2 t -120.74 92.04 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.757 0.313 . . . . 0.0 111.459 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 61.22 44.53 9.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.113 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.46 36.46 23.41 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.776 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -150.23 122.28 8.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 117.45 31.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.735 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HB2' HG13 ' A' ' 5' ' ' ILE . 94.6 m-85 -105.47 116.09 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.281 176.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HA ' HG23 ' A' ' 4' ' ' THR . . . -76.45 121.96 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.31 151.89 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.213 0.53 . . . . 0.0 111.134 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.64 162.77 28.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.901 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.53 -17.9 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' HZ3' ' A' ' 107' ' ' LYS . 44.3 mt-10 -90.7 -1.12 57.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.88 38.97 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.553 175.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -98.81 138.77 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.223 0.511 . . . . 0.0 110.649 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.98 126.81 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -86.35 -36.23 19.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.026 0.441 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -91.09 83.93 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.922 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 104' ' ' GLY . 75.8 mt -87.62 88.53 7.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -163.99 -44.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.104 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.08 -87.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 66.79 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.991 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.13 160.42 68.59 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.402 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.56 -34.22 51.42 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.689 2.259 . . . . 0.0 112.281 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -28.72 62.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.094 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.09 -52.13 64.32 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 120.964 0.411 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 102' ' ' PHE . . . -67.31 -40.92 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.434 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.48 ' CG ' ' HZ2' ' A' ' 36' ' ' LYS . 12.2 t70 -58.37 -59.39 5.41 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.324 -178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.63 -39.12 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.852 ' HG2' HH21 ' A' ' 101' ' ' ARG . 41.3 ttm -67.89 -38.22 82.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.0 69.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.427 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HZ2' ' CG ' ' A' ' 32' ' ' ASP . 55.5 mttp -72.53 -23.03 60.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.57 -47.18 87.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.256 0.55 . . . . 0.0 109.636 173.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -15.77 57.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.732 176.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 65.83 81.54 0.2 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.549 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.52 122.5 22.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.781 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -72.07 104.56 3.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.051 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.92 91.76 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -179.65 6.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 173.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.262 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -63.63 -47.48 81.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.202 173.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -45.59 75.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.271 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.66 -31.3 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.425 ' CG ' ' HZ3' ' A' ' 76' ' ' LYS . 14.0 t70 -64.0 -44.63 92.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.187 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.69 -44.08 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.616 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.34 -46.88 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 50.5 t30 -61.25 -46.51 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.097 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' HB2' ' HZ1' ' A' ' 76' ' ' LYS . 86.2 t80 -58.06 -40.88 82.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD23 HD11 ' A' ' 69' ' ' LEU . 25.8 mt -70.43 -32.41 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.34 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -66.09 -44.38 84.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 41.0 mt-10 -66.5 -33.29 75.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.517 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.57 -49.38 76.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.48 -34.08 75.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.2 0.524 . . . . 0.0 110.331 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.73 -41.33 99.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.378 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.65 -51.09 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.61 -22.39 50.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.127 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 64.46 24.02 13.05 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.599 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 tt -147.31 148.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.05 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -96.83 132.19 26.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.83 152.27 8.6 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.71 2.273 . . . . 0.0 113.35 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.92 177.94 7.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.137 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.56 -38.4 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -174.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.32 -12.91 61.0 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.6 t -93.62 -47.18 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD11 HD23 ' A' ' 53' ' ' LEU . 64.3 tp -57.8 -40.38 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.5 m -56.57 -41.2 76.51 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.81 -33.37 62.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.581 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.72 95.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.66 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 77' ' ' LEU . 92.6 t -62.13 -34.7 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 109.96 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.96 -24.44 70.13 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.607 177.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -82.72 -43.0 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.008 0.432 . . . . 0.0 110.354 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.61 ' HZ1' ' HB2' ' A' ' 52' ' ' PHE . 81.7 tttt -81.63 -50.28 9.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.947 -173.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 73' ' ' VAL . 4.2 mm? -87.85 -46.69 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.328 . . . . 0.0 111.156 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.41 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 149.0 170.09 16.32 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.392 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.853 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.13 -30.17 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.87 9.11 40.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.032 0.444 . . . . 0.0 111.457 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -112.82 -13.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.11 49.42 4.23 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.943 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -135.36 153.94 51.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.1 m -57.12 -29.61 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.257 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.91 -46.26 67.95 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.967 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.93 -35.97 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.348 0.594 . . . . 0.0 110.785 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.615 ' HB3' ' HG3' ' A' ' 95' ' ' PRO . 4.5 mm? -76.1 -36.51 58.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.492 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -81.35 -14.54 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 p -84.88 -27.02 26.96 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.026 173.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.64 -47.91 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.601 171.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.496 ' CB ' ' HA ' ' A' ' 95' ' ' PRO . 75.3 m-85 -129.42 111.7 17.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.695 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.59 -24.05 14.14 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.743 2.295 . . . . 0.0 113.278 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -115.64 71.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 111.555 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.65 84.77 0.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.615 ' HG3' ' HB3' ' A' ' 87' ' ' LEU . 9.9 Cg_endo -52.94 -42.06 66.74 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.417 2.744 . . . . 0.0 113.549 -176.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.07 96.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 46.0 mtpt -73.13 -45.98 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.72 -175.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -46.91 85.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.065 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.35 91.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.491 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.746 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.5 p -70.1 -34.25 72.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.977 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.852 HH21 ' HG2' ' A' ' 34' ' ' MET . 30.5 ttp180 -58.78 -44.41 90.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.151 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.411 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 20.1 m-85 -67.36 -33.82 76.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.15 -8.73 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.006 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.452 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.45 -0.83 66.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.613 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.746 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 85.1 mt -72.12 127.52 90.32 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.519 0.2 . . . . 0.0 110.911 -177.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.25 171.31 11.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.742 2.295 . . . . 0.0 112.124 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 30.9 ttmt -63.23 111.45 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 -177.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.442 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 85.6 Cg_endo . . . . . 0 N--CA 1.458 -0.576 0 C-N-CA 122.844 2.363 . . . . 0.0 112.727 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.507 HG21 ' HA ' ' A' ' 13' ' ' ALA . 74.2 p -121.27 128.89 52.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.205 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.489 HD13 HG13 ' A' ' 30' ' ' VAL . 27.7 pt -91.79 127.33 44.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.23 107.61 19.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.011 0.434 . . . . 0.0 110.188 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -100.47 115.51 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.57 -79.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.946 0.778 . . . . 0.0 110.865 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.05 13.62 1.11 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.671 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -124.03 132.97 53.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.594 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -88.15 120.34 29.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.51 127.85 48.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.33 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -83.66 114.55 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -176.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 20' ' ' LEU . 15.6 m -123.5 150.41 27.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.196 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.33 155.08 34.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -67.57 -17.62 64.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.276 0.56 . . . . 0.0 110.405 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 37.9 tt0 -67.27 -17.37 64.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.685 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 92.85 51.91 2.2 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.487 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' HE1' ' SG ' ' A' ' 100' ' ' CYS . 66.0 m-85 -141.02 135.28 30.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 14' ' ' VAL . 55.8 tp -65.59 114.7 5.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 t -86.98 -19.75 28.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.337 0.589 . . . . 0.0 110.313 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -106.5 92.03 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.393 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 104' ' ' GLY . 68.3 mt -81.88 105.06 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -167.28 -33.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -124.01 -86.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.61 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.3 t90 69.57 110.09 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.523 0.729 . . . . 0.0 111.646 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -117.94 156.88 49.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.686 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.42 -31.04 76.02 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.956 2.438 . . . . 0.0 112.556 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.72 -34.95 72.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.491 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG13 HD13 ' A' ' 5' ' ' ILE . 88.0 t -57.63 -48.02 84.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.372 . . . . 0.0 110.494 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . . . -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.37 -49.11 72.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.8 t -65.04 -36.96 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.054 0.454 . . . . 0.0 110.734 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.5 ttm -65.35 -50.73 64.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 -27.02 68.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.787 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -64.49 -35.62 81.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.94 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.81 -35.62 51.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -77.97 -7.54 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.57 32.31 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 109.798 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.2 tp -107.28 151.55 25.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.333 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -85.21 143.66 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.789 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.7 mt -117.92 90.52 3.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.007 172.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.1 p -91.1 -177.71 4.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.067 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.81 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.091 0.472 . . . . 0.0 109.897 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 tp10 -72.22 -49.18 37.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 50' ' ' ILE . 70.3 m80 -61.54 -50.76 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.935 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -59.68 -33.0 71.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.34 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.06 -48.46 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 45' ' ' GLU . 42.5 mm -63.2 -43.1 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.4 mt -57.3 -51.55 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.747 178.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -68.89 -35.78 77.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.68 -40.24 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 69' ' ' LEU . 18.7 mt -64.64 -42.26 95.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.132 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -63.39 -44.83 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.639 -0.424 . . . . 0.0 109.951 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.04 -49.35 73.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.896 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -61.8 -38.0 86.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.662 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 60.6 t80 -74.04 -41.11 62.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.242 -177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.12 -22.28 60.57 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.277 -0.265 . . . . 0.0 111.42 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -94.44 -58.82 2.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -84.88 -21.45 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 84.5 mm-40 65.54 20.05 11.6 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.152 -176.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.5 mt -117.54 139.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 108' ' ' PRO . . . -99.34 109.98 56.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.16 129.31 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.055 2.503 . . . . 0.0 113.28 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.91 -173.96 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.196 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.59 -35.47 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -174.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.21 -12.12 55.36 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.63 -41.33 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.963 0.411 . . . . 0.0 110.804 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.697 HD13 HD21 ' A' ' 53' ' ' LEU . 56.5 tp -59.71 -39.54 84.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -178.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -59.22 -44.42 92.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 111.416 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.99 -42.11 97.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.39 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.253 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.2 -39.19 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 80' ' ' GLU . . . -61.61 -31.77 79.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.049 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -88.3 -21.92 24.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -77.43 -42.43 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.738 ' HG ' ' HE2' ' A' ' 81' ' ' LYS . 3.8 mm? -79.67 1.2 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.267 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.96 -58.98 4.99 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.27 149.47 21.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.514 ' HA ' ' HA2' ' A' ' 74' ' ' GLY . 2.0 mp0 -71.54 68.85 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.208 0.528 . . . . 0.0 110.038 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.738 ' HE2' ' HG ' ' A' ' 77' ' ' LEU . 40.1 ttpt -71.34 -40.99 70.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.798 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.3 46.82 2.84 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.663 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.54 -48.09 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.4 p -161.31 -72.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -54.11 -42.31 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.426 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 12.0 t80 -64.01 -47.02 81.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.414 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 HD12 ' A' ' 90' ' ' LEU . 36.7 mt -68.82 -31.11 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.612 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -74.61 -24.15 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m -82.16 -32.38 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.811 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 87' ' ' LEU . 89.4 mt -68.12 -46.36 71.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.222 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.683 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 52.1 m-85 -129.07 92.29 39.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.88 -16.37 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.285 2.657 . . . . 0.0 113.303 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -96.69 13.5 28.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.429 0.633 . . . . 0.0 109.785 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.59 114.21 2.12 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.409 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.508 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 77.2 Cg_exo -50.8 -60.1 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.106 2.537 . . . . 0.0 112.348 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.32 79.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -57.36 -54.02 51.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.037 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.683 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 14.7 mm100 -79.12 -30.54 43.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.397 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.72 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.885 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 28.6 p -70.68 -29.79 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.268 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 58.7 ttt85 -49.52 -52.44 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.884 175.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 22.8 m-85 -81.23 -25.7 36.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.15 -16.39 60.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.514 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.63 1.94 63.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.472 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.885 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 68.0 mt -80.28 117.87 69.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 110.147 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.95 80.22 2.69 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.512 . . . . 0.0 114.094 -172.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.503 ' HD2' ' OE1' ' A' ' 17' ' ' GLU . 80.0 tttt 64.56 92.03 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.359 166.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.466 ' HD3' ' SG ' ' A' ' 100' ' ' CYS . 54.5 Cg_endo . . . . . 0 N--CA 1.457 -0.639 0 C-N-CA 123.948 3.099 . . . . 0.0 112.463 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.234 0.247 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -143.01 129.12 19.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.61 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.6 pt -99.4 128.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.42 108.89 21.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.902 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.1 t -115.31 98.02 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.601 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.41 -65.3 0.3 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.639 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.34 0.73 0.95 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.184 -1.007 . . . . 0.0 113.501 -176.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.641 ' HZ3' ' HB2' ' A' ' 10' ' ' LYS . 4.6 ttmp? -130.82 136.21 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.409 0.604 . . . . 0.0 111.312 -178.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.79 113.1 25.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.573 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.45 118.93 30.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.504 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 157.94 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.244 0.545 . . . . 0.0 111.37 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.5 166.61 18.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.412 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.73 -20.0 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 0.18 56.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.774 174.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.47 22.64 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.613 175.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -99.75 137.32 38.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.19 0.495 . . . . 0.0 110.444 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 61.1 tp -71.16 117.79 13.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 109.923 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 t -91.81 31.67 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.057 0.456 . . . . 0.0 110.671 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -159.33 88.3 0.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.971 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 104' ' ' GLY . 65.9 mt -81.79 96.82 7.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.239 0.542 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -164.48 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.871 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.03 -88.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.548 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.454 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 87.3 t90 58.82 102.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.424 0.631 . . . . 0.0 111.32 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 29.4 m -96.43 160.64 29.17 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 173.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 9.6 Cg_endo -53.37 -33.14 65.14 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.514 2.143 . . . . 0.0 111.979 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.66 -31.14 63.37 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.904 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.97 -50.24 81.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.985 0.392 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 -42.45 87.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 32.9 t70 -61.46 -49.7 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.089 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 79.7 t -66.57 -39.17 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 0.0 110.686 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.448 ' HE2' ' HB2' ' A' ' 34' ' ' MET . 39.6 tpp -59.06 -51.02 71.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.098 0.475 . . . . 0.0 110.482 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.97 74.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 13.5 ttmm -61.66 -33.49 74.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 72.4 mt-30 -60.97 -34.62 75.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.53 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.405 ' CG ' HH12 ' A' ' 101' ' ' ARG . 4.2 m-20 -89.97 0.25 57.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.536 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m120 67.49 19.74 9.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.708 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.09 131.47 35.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.45 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.57 126.88 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -86.26 117.96 25.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.5 p -98.78 -170.74 1.98 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.191 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.72 -50.32 66.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.187 0.518 . . . . 0.0 110.788 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.554 ' O ' HG12 ' A' ' 49' ' ' ILE . 14.9 mp0 -66.72 -36.47 82.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.06 -178.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -62.57 -52.61 62.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.579 0.228 . . . . 0.0 110.714 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -59.16 -37.88 78.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.39 -48.96 75.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.099 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.1 mm -62.5 -46.56 96.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.926 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.0 -47.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.779 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 62.9 t30 -63.66 -44.17 94.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.461 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.57 -39.96 77.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.836 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.613 HD22 HD13 ' A' ' 69' ' ' LEU . 18.6 mt -62.32 -42.9 99.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.407 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 55.0 ttt180 -63.73 -46.42 85.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 17.8 mm-40 -52.29 -50.44 62.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.397 0.618 . . . . 0.0 110.666 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.96 -47.53 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.063 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.26 -31.28 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.703 0.287 . . . . 0.0 111.547 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.52 -27.98 62.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 110.404 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -91.04 -49.37 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.506 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -90.53 -25.43 20.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.66 23.48 13.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.469 0.652 . . . . 0.0 110.069 -170.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.17 128.37 73.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.979 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.39 116.13 66.05 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.597 0.236 . . . . 0.0 110.451 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.68 126.5 17.62 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.833 2.355 . . . . 0.0 112.732 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.94 -175.61 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.138 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.0 t -56.26 -48.81 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.632 0.253 . . . . 0.0 111.569 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.0 -45.33 86.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.994 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.159 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD13 HD22 ' A' ' 53' ' ' LEU . 59.5 tp -64.18 -51.53 63.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.1 m -59.43 -37.83 79.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.5 -39.33 93.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.951 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.62 -42.07 64.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.654 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.547 HG21 ' O ' ' A' ' 69' ' ' LEU . 95.6 t -58.94 -37.47 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.512 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -64.74 -15.56 60.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.242 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -109.15 -32.41 7.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.84 0.32 . . . . 0.0 111.231 177.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 76' ' ' LYS . 2.2 tmtp? -64.91 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 HD22 HG11 ' A' ' 73' ' ' VAL . 4.4 mm? -86.52 14.68 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.089 0.471 . . . . 0.0 110.796 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.34 -103.63 2.07 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.694 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -132.72 12.68 4.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.989 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 81' ' ' LYS . 14.5 tt0 -136.17 164.61 27.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.963 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 80' ' ' GLU . 62.7 mttp 74.1 -56.89 0.63 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.407 0.683 . . . . 0.0 112.623 173.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.512 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -54.89 103.55 0.21 Allowed Glycine 0 CA--C 1.519 0.328 0 O-C-N 123.205 0.316 . . . . 0.0 113.527 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.04 160.69 39.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 p -61.77 -43.82 98.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.982 0.42 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.2 -37.92 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.559 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.438 ' OH ' ' HG2' ' A' ' 45' ' ' GLU . 74.2 t80 -63.02 -42.66 99.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.786 -177.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.855 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 3.9 mm? -65.6 -37.47 86.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.13 -24.93 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 111.035 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.7 m -82.1 -20.48 38.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 110.547 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 95.4 mt -82.31 -50.14 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.785 174.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.558 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 35.6 m-85 -127.63 97.19 31.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.988 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.33 -26.96 55.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.032 2.488 . . . . 0.0 113.128 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -90.74 27.21 1.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.143 0.497 . . . . 0.0 110.673 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 107.78 114.49 3.83 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.855 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.2 Cg_endo -50.83 -64.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.281 2.654 . . . . 0.0 112.714 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.2 61.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -63.45 -54.86 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.322 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 10.5 mm-40 -67.17 -44.77 78.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.877 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.926 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.587 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.6 p -65.81 -37.71 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.405 HH12 ' CG ' ' A' ' 38' ' ' ASP . 40.7 ttt180 -58.41 -46.61 86.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.28 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -67.74 -29.29 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.13 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.82 -10.09 49.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.926 0.393 . . . . 0.0 111.258 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.472 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 80.76 21.87 62.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.647 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.587 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 71.7 mt -84.27 143.81 42.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.624 0.25 . . . . 0.0 110.849 -178.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.23 163.48 23.02 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.709 2.273 . . . . 0.0 111.508 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 93.8 mttt -63.73 112.74 7.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.476 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 11.2 Cg_exo . . . . . 0 C--N 1.344 0.34 0 C-N-CA 123.274 2.649 . . . . 0.0 112.487 -176.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 p -123.24 116.96 24.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.2 pt -89.15 131.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -103.8 99.62 9.4 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.439 HG22 HG23 ' A' ' 33' ' ' VAL . 47.6 t -94.18 113.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.583 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 68.66 -74.36 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.811 0.694 . . . . 0.0 110.396 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.87 20.1 0.43 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -120.09 122.5 41.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -90.89 115.09 27.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.388 . . . . 0.0 110.624 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.29 127.91 50.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.37 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.42 123.03 25.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.728 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.522 HG13 ' HA ' ' A' ' 20' ' ' LEU . 27.3 m -128.89 143.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.52 162.94 26.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.01 -16.34 63.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.35 -8.35 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.692 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.86 17.88 33.95 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.133 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.532 ' OH ' ' HG3' ' A' ' 97' ' ' LYS . 76.3 m-85 -94.57 125.77 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.083 0.441 . . . . 0.0 111.492 -177.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.522 ' HA ' HG13 ' A' ' 14' ' ' VAL . 62.2 tp -58.38 117.85 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -95.95 12.12 31.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -138.94 92.15 2.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.649 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -84.49 93.63 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.056 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -146.94 -62.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.7 -81.13 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.3 t90 65.8 109.43 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.824 0.85 . . . . 0.0 112.147 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.36 157.63 38.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.641 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.72 -26.44 56.3 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.892 2.395 . . . . 0.0 112.244 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG21 ' A' ' 33' ' ' VAL . . . -60.47 -36.02 90.25 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.181 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG12 ' HE1' ' A' ' 34' ' ' MET . 57.4 t -59.09 -42.18 85.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 121.009 0.433 . . . . 0.0 110.241 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.92 70.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.937 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.38 -42.44 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.69 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 7' ' ' VAL . 77.7 t -60.69 -41.95 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.279 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.53 ' HA ' HE21 ' A' ' 37' ' ' GLN . 66.9 mtm -75.5 -34.08 60.82 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.645 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.52 91.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.241 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -60.88 -37.72 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.86 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.53 HE21 ' HA ' ' A' ' 34' ' ' MET . 49.8 mt-30 -69.63 -27.51 65.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.76 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.42 -6.37 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.572 0.701 . . . . 0.0 109.752 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.9 42.49 12.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.713 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -113.74 122.86 48.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.41 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.14 120.62 26.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.279 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -83.64 105.98 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.491 HG23 ' OE2' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.96 175.54 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.491 ' OE2' HG23 ' A' ' 43' ' ' THR . 1.8 mp0 -58.07 -38.04 75.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.309 0.504 . . . . 0.0 110.732 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.96 -38.58 91.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.076 0.465 . . . . 0.0 110.359 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.547 ' O ' HG12 ' A' ' 50' ' ' ILE . 63.1 m80 -64.97 -48.15 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -60.29 -29.81 69.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.012 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.03 -49.25 76.76 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.67 -44.34 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.832 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 46' ' ' HIS . 48.2 mm -59.12 -49.49 83.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.76 -44.55 93.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.466 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD21 HD11 ' A' ' 69' ' ' LEU . 24.0 mt -68.79 -29.11 67.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.2 -53.2 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.34 -34.09 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.918 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.88 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.1 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -75.43 -32.56 60.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.519 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.47 -47.48 72.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.84 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -95.17 -58.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.777 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -73.21 -23.21 60.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -172.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 59.12 35.08 23.64 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.937 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -140.71 141.38 32.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.43 56.88 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.61 148.29 32.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.42 2.08 . . . . 0.0 113.002 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.76 -177.27 6.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.3 t -56.73 -54.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.963 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.08 -39.42 79.08 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.156 -0.217 . . . . 0.0 110.825 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -48.55 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.6 HD11 HD21 ' A' ' 53' ' ' LEU . 59.1 tp -63.25 -48.86 76.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.981 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -59.78 -37.51 79.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.099 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -64.66 -39.56 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.006 0.432 . . . . 0.0 110.068 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.7 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.572 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 77' ' ' LEU . 79.6 t -62.51 -45.2 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.01 -20.4 66.81 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.511 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -77.44 -31.21 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.762 0.315 . . . . 0.0 110.491 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -96.63 -50.12 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.343 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.583 HD21 HG11 ' A' ' 73' ' ' VAL . 3.7 mm? -78.77 -14.41 59.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 0.0 111.134 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.78 153.23 28.24 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.632 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -71.65 -14.8 62.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.252 0.549 . . . . 0.0 110.461 -177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.87 -9.72 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.336 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -124.62 -38.31 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.76 79.82 1.53 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.234 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.554 ' O ' ' HB3' ' A' ' 86' ' ' TYR . 18.6 t-20 -100.13 164.6 11.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -64.36 -43.58 94.09 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.324 0.583 . . . . 0.0 110.07 176.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.01 -26.25 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.98 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.554 ' HB3' ' O ' ' A' ' 83' ' ' ASN . 90.7 t80 -60.49 -42.34 96.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.728 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.941 178.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -67.85 -28.03 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 111.033 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.1 t -71.04 -42.03 70.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.26 -46.05 52.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 0.0 110.805 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.645 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 71.6 m-85 -128.2 98.46 26.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.5 -45.88 3.2 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.864 2.376 . . . . 0.0 113.354 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -83.12 59.36 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.635 0.731 . . . . 0.0 110.268 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.75 104.87 1.02 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.854 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.714 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.5 Cg_endo -49.34 -56.93 2.69 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.32 2.68 . . . . 0.0 112.995 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.47 -37.91 59.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.532 ' HG3' ' OH ' ' A' ' 19' ' ' TYR . 56.6 tttp -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.32 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.7 mm-40 -66.99 -51.85 49.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.71 87.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.986 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.653 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 14.0 p -69.24 -36.49 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.348 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -47.16 84.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.633 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' HB2' HD13 ' A' ' 50' ' ' ILE . 21.4 m-85 -68.96 -30.52 68.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.914 0.388 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.72 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.985 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.62 10.12 86.47 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.469 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.653 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 89.6 mt -80.63 157.69 71.92 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.422 0.153 . . . . 0.0 110.597 -176.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.17 -174.27 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.938 2.425 . . . . 0.0 112.74 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.56 116.05 54.79 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.398 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.501 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 89.5 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 C-N-CA 122.982 2.455 . . . . 0.0 112.64 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.689 0.28 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 13' ' ' ALA . 34.0 p -132.67 129.25 38.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.438 HD11 HG11 ' A' ' 30' ' ' VAL . 29.9 pt -98.03 134.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.54 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.28 104.15 16.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 110.153 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.18 92.84 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.82 42.09 10.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.73 0.776 . . . . 0.0 110.266 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.51 -18.55 51.99 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.925 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -91.0 121.63 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.4 131.18 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 0.0 112.169 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -119.95 117.17 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.719 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.42 125.73 27.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -120.33 157.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.272 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.76 157.4 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.74 -17.96 64.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.954 0.407 . . . . 0.0 110.644 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 mm-40 -86.58 2.56 47.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.563 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.87 -14.48 60.18 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.915 172.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -77.36 134.88 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.165 0.483 . . . . 0.0 109.988 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.997 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 69.0 tp -59.08 131.86 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.513 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.2 t -103.16 0.75 32.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.85 107.0 9.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.5 mt -99.55 24.4 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.278 0.561 . . . . 0.0 110.267 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.96 -30.78 28.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.175 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -130.3 -79.63 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.079 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.8 t90 69.31 124.48 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.865 0.84 . . . . 0.0 112.026 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.2 159.77 68.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.354 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.55 -32.32 63.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.5 66.48 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.087 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 5' ' ' ILE . 88.8 t -60.89 -50.2 81.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.865 0.332 . . . . 0.0 110.446 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.63 -36.5 78.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.729 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.7 -52.41 64.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.53 -39.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 46.3 ttm -65.17 -54.24 32.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.213 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.92 69.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 27.2 ttmt -62.69 -36.55 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.142 177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.18 -37.12 78.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.107 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.97 -2.39 43.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.026 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.463 HD21 ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER 64.16 31.45 13.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 178.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -105.22 122.16 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -82.18 109.45 16.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.13 113.59 20.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.6 p -96.63 -173.49 2.76 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.26 -38.73 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 49' ' ' ILE . 57.1 mp0 -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -65.6 -49.42 68.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.99 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -56.68 -39.85 74.52 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.07 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.16 -45.74 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 45' ' ' GLU . 51.5 mm -65.15 -43.45 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.809 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.41 -52.06 65.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.232 0.539 . . . . 0.0 110.429 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -61.14 -39.52 90.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.713 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 34.6 t80 -60.79 -42.46 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.885 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 53' ' ' LEU . 27.4 mt -61.67 -36.9 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.307 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.77 -54.99 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.703 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -45.35 93.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.373 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.81 -44.83 90.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.927 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.86 -42.69 63.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.73 -22.53 61.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 111.042 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.89 -59.1 2.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.82 -8.04 55.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.934 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 60.69 37.21 19.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 111.612 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.7 tt -144.92 134.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.87 116.09 65.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.63 127.77 9.03 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.236 1.958 . . . . 0.0 113.359 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.96 175.52 5.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.805 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.07 -44.97 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.91 0.386 . . . . 0.0 111.267 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -68.96 -19.78 64.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.344 -177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.0 t -94.52 -37.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.208 0.528 . . . . 0.0 110.613 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 73' ' ' VAL . 42.1 tp -61.93 -37.49 84.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.831 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 p -58.51 -36.84 74.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 111.391 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -73.85 -39.31 64.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.734 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.41 82.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.101 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 69' ' ' LEU . 95.5 t -62.85 -38.54 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.85 -17.74 73.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.88 -28.26 19.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.27 . . . . 0.0 110.839 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 62.1 tttm -96.57 -55.17 3.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.273 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.9 tp -76.68 -62.41 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.439 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.51 142.7 4.65 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.644 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -66.81 -26.77 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.968 0.414 . . . . 0.0 110.925 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -76.78 -27.24 55.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -102.28 -4.37 25.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.587 -175.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.83 69.3 3.08 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.078 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -61.76 -36.88 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.323 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -63.17 -36.38 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.601 -177.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.15 -37.49 87.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 43.3 mt -72.58 -33.06 66.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -71.92 -24.09 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.403 . . . . 0.0 110.4 174.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 m -76.51 -30.29 57.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.9 mt -77.06 -55.35 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.868 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' HB3' ' HG3' ' A' ' 98' ' ' GLN . 62.7 m-85 -122.21 106.45 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 -177.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.82 -22.27 23.81 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.834 2.356 . . . . 0.0 113.006 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -96.37 17.21 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.439 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 104.5 108.82 3.34 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.696 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.3 Cg_endo -49.41 -45.45 30.51 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.566 2.844 . . . . 0.0 113.333 -176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.286 0.366 . . . . 0.0 111.516 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -56.37 -43.48 79.22 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.572 ' HG3' ' HB3' ' A' ' 91' ' ' PHE . 23.5 mm-40 -65.42 -56.32 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 0.0 111.21 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.816 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.799 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -65.45 -37.32 86.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -52.62 -52.45 55.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.881 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -76.45 -25.03 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.4 -13.15 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.474 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.997 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 98.79 10.31 50.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.799 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.0 mt -96.71 131.98 27.04 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 120.665 0.269 . . . . 0.0 110.287 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.24 -171.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.565 2.177 . . . . 0.0 111.899 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -65.82 109.24 2.9 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.072 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 C-N-CA 123.31 2.674 . . . . 0.0 112.812 -176.416 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.672 0.273 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 1.9 p -133.58 121.89 22.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.869 0.366 . . . . 0.0 110.401 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 12' ' ' PHE . 30.5 pt -89.85 127.22 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.403 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -91.08 106.68 18.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.03 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.49 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 63.93 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.789 0.68 . . . . 0.0 111.273 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.38 22.98 2.86 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.127 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -121.13 142.56 49.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -110.18 107.14 16.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.951 0.405 . . . . 0.0 110.068 174.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.7 m-85 -93.78 116.5 28.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.69 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.41 107.99 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 35.2 m -115.25 168.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.671 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.0 179.66 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.46 -42.92 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -168.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -89.22 6.52 39.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.7 65.55 1.05 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.035 176.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -142.53 119.65 11.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 2.4 pt? -73.55 119.49 17.85 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.557 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.86 -18.95 61.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.859 -174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.04 91.79 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.89 85.5 6.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.339 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -158.01 -69.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.01 43.12 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.247 0.546 . . . . 0.0 111.388 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -66.51 118.11 9.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.45 160.87 40.04 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.6 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.87 -36.19 62.49 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.89 2.394 . . . . 0.0 112.673 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -35.43 66.98 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.728 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.41 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.005 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -58.78 -51.28 70.66 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.775 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 90.3 t -64.59 -40.36 88.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.429 ' HE3' ' HB2' ' A' ' 34' ' ' MET . 42.5 tpp -59.16 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 178.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -66.72 -27.91 68.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.232 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.82 -26.39 63.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 33' ' ' VAL . 15.6 mm100 -75.15 -45.43 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.66 -14.51 56.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 0.0 110.533 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 67.55 70.82 0.35 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.997 0.903 . . . . 0.0 110.775 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 9.5 tt -152.54 107.55 3.23 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.242 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.56 119.23 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.989 -173.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.07 109.97 8.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.472 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.633 HG21 ' H ' ' A' ' 44' ' ' GLU . 1.3 m -101.39 -178.15 3.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.633 ' H ' HG21 ' A' ' 43' ' ' THR . 56.1 mt-10 -52.94 -42.93 65.9 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.685 0.279 . . . . 0.0 111.653 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 49' ' ' ILE . 8.4 mp0 -60.14 -46.08 90.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -65.26 -47.38 76.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.092 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -59.03 -39.32 81.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.402 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.93 -40.54 97.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.7 mm -71.3 -45.11 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.483 HG21 ' HB2' ' A' ' 103' ' ' ALA . 92.9 mt -62.9 -47.53 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.229 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -67.55 -32.56 73.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.22 -45.8 91.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.971 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.605 HD23 HD12 ' A' ' 69' ' ' LEU . 46.4 mt -63.99 -37.89 89.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -56.54 -55.99 26.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 58' ' ' GLU . 35.5 mt-10 -72.3 -24.39 61.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.348 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.11 -44.03 96.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.392 0.615 . . . . 0.0 109.36 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -73.56 -34.81 65.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.797 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 55' ' ' GLU . 11.2 tp10 -56.82 -47.86 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.588 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -84.21 -56.09 3.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -92.15 -13.43 30.68 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -169.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.441 ' N ' HE21 ' A' ' 61' ' ' GLN . 0.0 OUTLIER 59.77 28.72 18.23 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.1 tt -135.67 141.18 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.742 0.306 . . . . 0.0 110.553 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.39 116.36 65.89 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.863 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.75 132.9 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.351 2.034 . . . . 0.0 112.651 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.38 172.26 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.635 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.87 -47.28 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.305 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 67' ' ' ARG . 43.6 mtp-105 -59.74 -44.58 93.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.26 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.32 -41.74 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD12 HD23 ' A' ' 53' ' ' LEU . 58.1 tp -61.97 -39.06 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -57.08 -36.36 70.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.009 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -83.6 -42.97 16.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.746 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.75 88.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.48 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.705 HG11 HD22 ' A' ' 77' ' ' LEU . 1.1 t -65.98 -22.91 31.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.47 -48.15 66.25 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.065 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -65.99 -17.08 64.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.758 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -87.5 -35.14 18.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.921 0.391 . . . . 0.0 110.375 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.705 HD22 HG11 ' A' ' 73' ' ' VAL . 4.6 mm? -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.79 -127.14 7.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.028 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -121.72 -24.47 5.28 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.585 -0.362 . . . . 0.0 110.089 175.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.13 -62.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.112 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 77' ' ' LEU . 62.2 mttp -88.88 -171.49 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -174.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 86' ' ' TYR . . . 111.93 -122.88 6.16 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -168.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 66.23 170.02 0.23 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.324 0.583 . . . . 0.0 111.705 169.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 p -85.47 -44.95 12.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.747 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.47 -41.97 86.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.502 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.528 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 54.4 t80 -59.0 -44.82 91.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.82 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 50.2 mt -72.57 -30.74 64.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -71.62 -34.95 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.973 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -73.65 -18.89 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.426 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 56.4 mt -79.81 -54.21 6.06 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.653 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 67.4 m-85 -123.46 104.04 34.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.99 -42.39 30.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.321 2.681 . . . . 0.0 113.824 -173.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.68 -1.04 25.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.778 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.47 122.0 2.26 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.82 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 66.2 Cg_exo -50.82 -62.29 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.393 2.728 . . . . 0.0 112.892 -175.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.45 -36.88 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.122 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.26 -50.46 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.628 -173.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 15.6 mm100 -68.85 -41.26 78.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.791 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.9 88.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.3 p -69.22 -26.06 64.62 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.63 -40.09 92.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.263 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.86 -29.87 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.483 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -79.2 -16.25 56.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.151 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 20' ' ' LEU . . . 85.26 8.69 81.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.786 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.728 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 93.4 mt -74.16 142.22 78.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.539 0.209 . . . . 0.0 110.616 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.46 134.5 61.59 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.342 2.028 . . . . 0.0 111.158 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -51.07 114.24 4.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 O-C-N 123.74 0.65 . . . . 0.0 111.81 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 C--N 1.343 0.27 0 C-N-CA 123.269 2.646 . . . . 0.0 112.424 -177.756 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.54 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 69.9 mtm . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.09 131.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.016 0.823 . . . . 0.0 109.811 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.41 162.88 25.29 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.777 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 p -113.73 133.42 55.36 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.422 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.434 HD12 HG12 ' A' ' 30' ' ' VAL . 35.4 pt -89.72 163.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.475 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -106.4 110.31 22.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.022 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.4 112.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.06 22.8 13.04 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.383 0.427 . . . . 0.0 111.165 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.74 85.39 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.897 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.83 141.59 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.91 107.54 19.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -99.19 132.2 44.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.1 118.03 21.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.293 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 20' ' ' LEU . 25.2 m -124.62 151.77 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.717 176.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.48 150.86 48.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.54 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 30.2 tt0 -64.92 -17.08 64.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -174.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.9 -11.34 59.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.3 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 96.47 39.31 4.23 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.162 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 79.8 m-85 -129.23 120.43 25.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HA ' HG13 ' A' ' 14' ' ' VAL . 54.2 tp -57.4 120.1 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.993 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -93.78 -33.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 110.202 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -79.52 82.17 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.608 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -85.76 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.727 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -102.23 7.9 40.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.356 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -159.37 -86.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.853 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.7 t90 67.53 109.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.417 0.687 . . . . 0.0 111.399 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.9 m -116.13 163.35 21.84 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.669 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 52.3 Cg_exo -53.65 -34.35 73.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.726 2.284 . . . . 0.0 112.574 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.6 -34.64 82.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.348 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG13 ' HE1' ' A' ' 34' ' ' MET . 91.1 t -59.57 -51.67 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.035 0.445 . . . . 0.0 110.339 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.79 -46.51 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -64.12 -36.57 77.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.918 0.39 . . . . 0.0 110.926 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.479 ' HE1' HG13 ' A' ' 30' ' ' VAL . 69.4 mtm -71.37 -31.65 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.829 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -72.22 -39.27 68.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.47 -37.83 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.074 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.16 -14.37 61.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.61 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.34 -10.71 16.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.121 0.486 . . . . 0.0 109.96 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.44 33.95 8.43 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.934 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 8.0 tt -108.63 123.91 49.68 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.75 0.31 . . . . 0.0 110.359 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -105.24 106.44 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.515 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -92.04 -175.55 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.8 -26.41 68.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -66.15 -48.27 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.918 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 50' ' ' ILE . 75.1 m80 -63.41 -48.71 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.524 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.25 -32.44 72.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.901 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.3 -43.36 86.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -69.36 -43.31 81.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.109 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 46' ' ' HIS . 86.9 mt -59.98 -48.6 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.567 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.07 -35.02 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.85 -52.67 64.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD21 HD12 ' A' ' 69' ' ' LEU . 68.8 mt -62.19 -39.95 94.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.727 0.299 . . . . 0.0 111.095 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 tpt85 -57.52 -50.62 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.456 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.24 -47.91 66.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.885 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.5 -48.86 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.982 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -66.86 -35.4 79.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 110.673 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.22 -37.68 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.672 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.3 -41.27 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -94.0 -20.58 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 66.67 18.38 10.72 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.502 0.501 . . . . 0.0 110.72 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -116.87 134.08 61.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.191 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.56 111.48 61.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.32 118.59 5.7 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.744 2.296 . . . . 0.0 112.718 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.03 177.03 4.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.941 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.66 -34.79 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.708 0.29 . . . . 0.0 111.485 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 67' ' ' ARG . 12.8 mmt180 -68.79 -30.92 69.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -86.94 -46.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.745 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.682 HD12 HD21 ' A' ' 53' ' ' LEU . 50.8 tp -53.55 -48.81 68.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -56.93 -34.92 68.47 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.713 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.49 -49.53 18.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.375 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.78 80.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.776 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.84 -31.74 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.48 -41.76 97.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.414 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -83.83 -37.37 22.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.421 . . . . 0.0 111.008 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -69.28 -57.33 5.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.551 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -68.87 -43.14 75.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.609 -171.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -159.34 -135.43 1.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.302 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -91.39 -54.16 4.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 0.0 110.667 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.08 35.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.35 0.595 . . . . 0.0 109.559 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -70.68 -14.9 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.305 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.54 80.38 1.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.208 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 146.56 39.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.594 0.235 . . . . 0.0 110.49 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.419 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 8.1 m -57.68 -47.77 81.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.136 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.23 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -61.52 -43.97 97.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.769 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.715 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.0 mm? -64.92 -39.31 93.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.248 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 84' ' ' SER . 35.6 m-85 -72.77 -21.61 60.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 111.471 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 m -81.57 -22.09 38.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.045 0.45 . . . . 0.0 110.351 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.05 -47.07 8.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.3 m-85 -121.57 92.55 48.71 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.193 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.03 -4.96 16.14 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 123.146 2.564 . . . . 0.0 113.026 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -97.32 -15.29 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 138.68 102.39 0.56 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.715 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 1.3 Cg_endo -41.55 -70.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 124.371 3.381 . . . . 0.0 114.809 -170.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.23 90.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.44 -39.17 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.207 0.527 . . . . 0.0 110.844 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -74.82 -38.59 62.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.98 70.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 21.9 p -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.741 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 16.0 ttt180 -53.07 -49.33 66.61 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.29 0.369 . . . . 0.0 110.983 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -76.61 -29.38 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 111.305 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.44 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.35 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 84.73 21.33 56.25 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.256 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.593 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 66.1 mt -95.86 148.9 35.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.65 167.28 24.74 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.443 2.096 . . . . 0.0 111.744 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.8 ttmt -59.23 112.66 5.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 61.1 Cg_endo -95.02 110.37 0.14 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 123.258 2.638 . . . . 0.0 112.998 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.2 m -125.78 -46.88 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 0.0 109.839 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.73 -174.84 53.18 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.164 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.3 m -92.69 94.51 9.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.871 0.367 . . . . 0.0 110.238 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.441 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 14' ' ' VAL . . . -179.81 173.54 1.0 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.744 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.66 150.12 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -125.79 117.51 23.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.888 0.375 . . . . 0.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.483 HG13 ' HB2' ' A' ' 12' ' ' PHE . 31.3 pt -94.18 127.97 45.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.075 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.62 99.34 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.548 . . . . 0.0 109.798 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.408 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 60.2 t -122.29 124.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.771 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.49 7.65 6.34 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.357 0.599 . . . . 0.0 110.907 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.95 -3.82 58.8 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.754 ' HZ2' ' HB2' ' A' ' 10' ' ' LYS . 5.0 ttmp? -106.06 132.77 51.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 0.0 110.531 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -80.96 107.94 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HB2' HG13 ' A' ' 5' ' ' ILE . 87.3 m-85 -91.6 110.66 21.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.749 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.05 121.32 20.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.469 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 20' ' ' LEU . 32.6 m -121.78 144.63 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.833 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.83 165.41 15.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.48 -27.59 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.76 -6.3 48.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.03 39.27 8.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.621 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -126.07 142.93 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.604 0.24 . . . . 0.0 110.612 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HA ' HG12 ' A' ' 14' ' ' VAL . 56.0 tp -67.83 114.53 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.156 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -81.29 -23.03 38.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.05 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -105.1 97.26 7.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 104' ' ' GLY . 79.2 mt -97.51 35.87 1.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.193 0.52 . . . . 0.0 110.737 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -71.35 -40.89 70.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.888 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 28.8 t70 -138.5 -64.32 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -174.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.416 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 88.0 t90 71.91 124.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 111.152 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 27.6 m -120.36 157.77 52.79 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.926 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 11.8 Cg_endo -56.18 -31.2 82.79 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.992 2.462 . . . . 0.0 112.468 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.47 -30.49 71.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.692 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.469 HG12 HD12 ' A' ' 5' ' ' ILE . 92.4 t -62.87 -46.86 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.964 0.411 . . . . 0.0 109.922 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.13 95.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.931 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.03 -36.54 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.226 0.536 . . . . 0.0 110.953 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.52 ' HE2' ' HA ' ' A' ' 102' ' ' PHE . 20.7 ttp -76.9 -20.3 56.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.265 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.38 52.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.004 0.431 . . . . 0.0 110.263 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -63.05 -24.58 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.151 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.93 -32.58 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.18 6.39 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 61.29 23.64 13.84 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.513 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -92.16 111.1 22.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.071 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -74.15 114.62 12.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.905 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 110.15 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.481 . . . . 0.0 110.794 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -91.66 179.39 5.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.135 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.36 -31.91 72.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.461 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.07 -42.45 84.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.949 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -63.88 -49.62 71.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.626 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -61.1 -29.77 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.393 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' A' ' 76' ' ' LYS . 20.4 t70 -67.88 -41.24 83.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.7 mm -67.62 -43.32 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.4 -44.84 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.274 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.18 -45.74 75.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.13 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 77.8 t80 -57.53 -57.62 11.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.021 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.584 ' HB3' HD13 ' A' ' 105' ' ' LEU . 33.9 mt -64.4 -31.88 73.27 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -60.93 2.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -15.67 48.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.552 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -66.56 -44.32 82.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 87.3 t80 -74.94 -33.72 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.06 -48.71 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.729 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -80.63 -46.7 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.747 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -92.07 -26.17 18.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -174.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 86.7 mm-40 64.83 26.68 12.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.357 0.599 . . . . 0.0 110.826 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.5 133.9 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.546 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.41 111.01 64.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.45 140.37 21.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.306 2.004 . . . . 0.0 113.317 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB3' ' OXT' ' A' ' 112' ' ' VAL . . . -69.14 175.38 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.297 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.496 ' HA ' ' HB3' ' A' ' 96' ' ' ALA . 7.8 p -67.11 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.003 -173.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -71.75 -35.11 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 109.938 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.55 -43.96 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.841 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.584 HD11 HD21 ' A' ' 53' ' ' LEU . 57.3 tp -57.95 -46.78 84.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.6 m -59.29 -42.05 90.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -69.69 -27.46 65.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.482 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.37 -34.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.8 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 69' ' ' LEU . 96.0 t -64.24 -35.76 74.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 14.54 4.76 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.303 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -124.5 -13.93 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.023 0.44 . . . . 0.0 110.236 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 57.9 tttm -102.46 -38.84 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HB3' ' HD3' ' A' ' 81' ' ' LYS . 3.8 mm? -90.59 39.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.423 0.63 . . . . 0.0 110.662 -171.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.38 -89.16 0.72 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.814 ' HE2' ' HA ' ' A' ' 79' ' ' LYS . 6.1 mmpt? -141.08 -82.8 0.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 171.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.32 92.53 4.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.734 0.778 . . . . 0.0 111.826 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.436 ' HE2' ' CE1' ' A' ' 86' ' ' TYR . 84.3 tttt -128.37 -53.38 1.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.469 173.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -94.39 54.21 2.08 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.053 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -82.43 -36.02 27.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.2 t -159.64 -67.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.923 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -52.73 -49.19 65.91 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.535 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.64 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 28.5 t80 -48.67 -50.97 30.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.724 0.64 . . . . 0.0 112.157 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 HD22 HG11 ' A' ' 73' ' ' VAL . 4.5 mm? -72.56 -46.09 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.544 0.202 . . . . 0.0 111.544 -175.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -69.88 -13.51 62.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.302 . . . . 0.0 111.501 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.6 m -88.9 -40.41 13.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.544 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.1 mt -68.65 -43.18 76.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 110.372 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.532 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 21.3 m-85 -129.32 101.84 18.95 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.587 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.66 -51.29 6.32 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.112 2.542 . . . . 0.0 113.526 -174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.27 -56.27 4.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.88 109.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.312 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.532 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.2 Cg_exo -51.83 -51.87 10.23 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.217 2.611 . . . . 0.0 112.421 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 66' ' ' VAL . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.498 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.95 -47.29 85.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.383 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.27 -44.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.64 90.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.233 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.4 p -66.26 -42.8 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.352 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.6 -50.93 64.58 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-O 120.703 0.287 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' HA ' ' HE2' ' A' ' 34' ' ' MET . 22.7 m-85 -65.51 -34.09 77.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.25 -175.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -79.31 -6.18 56.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 88.24 0.47 82.7 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.249 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 20.1 mt -71.76 140.06 83.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.631 0.253 . . . . 0.0 110.792 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.9 147.43 95.49 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.316 2.011 . . . . 0.0 111.035 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 50.3 pttt -53.19 116.09 8.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 O-C-N 123.461 0.476 . . . . 0.0 111.118 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 3.4 Cg_exo -78.79 66.12 8.68 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.3 2.666 . . . . 0.0 112.196 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 p 66.75 -52.76 0.45 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.117 1.367 . . . . 0.0 112.635 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 -0.54 65.86 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.15 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 m -98.15 -11.25 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.499 ' OXT' ' HB3' ' A' ' 65' ' ' ALA . 31.2 t . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.359 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.57 174.48 0.19 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.926 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -158.78 169.84 23.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.272 . . . . 0.0 110.395 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.508 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 21.8 p -116.48 125.31 51.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.916 0.389 . . . . 0.0 111.061 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 19.9 pt -89.55 130.54 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.49 177.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -84.06 106.69 15.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.19 103.97 15.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.794 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.18 27.19 16.99 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.073 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.93 -21.9 19.73 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.489 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -109.6 140.8 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.18 0.49 . . . . 0.0 111.369 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.508 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 53.4 mt-30 -99.57 115.66 29.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.759 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.01 130.38 50.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.562 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.03 120.18 23.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.903 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.516 HG11 ' HA ' ' A' ' 20' ' ' LEU . 27.1 m -125.86 160.53 32.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.176 176.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.54 ' OD2' ' HB2' ' A' ' 19' ' ' TYR . 18.0 p30 -83.39 173.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.866 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -77.19 12.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -108.03 -25.21 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 6.71 9.46 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.825 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.576 ' HE2' ' HG ' ' A' ' 100' ' ' CYS . 38.4 m-85 -87.7 129.37 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.199 0.499 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.516 ' HA ' HG11 ' A' ' 14' ' ' VAL . 51.8 tp -66.53 117.2 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.531 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -91.76 -25.29 19.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.234 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -81.57 75.76 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.28 94.5 8.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -154.98 -49.33 0.09 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.149 -174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -73.42 0.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.862 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.3 t90 66.41 118.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.621 0.724 . . . . 0.0 111.513 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.44 158.23 73.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.36 -34.28 59.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.819 2.346 . . . . 0.0 112.559 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.65 -32.41 61.48 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.664 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.22 -48.72 82.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.621 0.248 . . . . 0.0 110.377 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.28 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 17.1 t70 -62.62 -55.18 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.543 178.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.23 -39.57 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.893 0.377 . . . . 0.0 111.323 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.564 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 48.5 ttm -61.32 -49.9 75.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.578 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 40' ' ' LEU . . . -68.34 -29.64 68.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.405 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 43.0 tttp -61.8 -45.97 91.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.694 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -78.35 -22.79 47.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.476 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.0 -11.98 54.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.3 t30 65.59 40.31 4.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.526 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 48.6 tp -115.9 103.32 10.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.273 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.85 131.22 44.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.252 0.548 . . . . 0.0 111.13 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.94 109.72 21.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -87.52 -176.18 5.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.058 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.18 -47.01 65.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.429 0.633 . . . . 0.0 110.51 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.464 ' O ' HG12 ' A' ' 49' ' ' ILE . 38.6 mt-10 -69.75 -37.52 76.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.035 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -60.93 -48.06 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.359 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -61.97 -35.76 79.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.397 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.37 -39.03 74.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.536 0.208 . . . . 0.0 111.098 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.8 mm -64.02 -44.81 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.302 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.33 -43.1 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.217 0.532 . . . . 0.0 109.81 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.08 -39.1 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.298 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.63 -47.45 85.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.561 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.14 -36.21 79.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.651 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -54.38 -50.39 67.64 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.663 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.02 -46.18 71.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.5 -46.79 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -67.39 -41.43 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.311 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.03 -33.95 76.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.983 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 -57.98 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.4 ' O ' HG13 ' A' ' 62' ' ' ILE . 79.5 m-85 -87.14 -21.38 26.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 64.66 22.89 12.7 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.649 0.38 . . . . 0.0 111.474 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 60' ' ' TYR . 66.8 mt -123.75 146.23 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.094 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.52 113.03 64.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.12 136.1 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.427 2.084 . . . . 0.0 112.618 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.71 170.08 14.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -32.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.927 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -68.28 -41.54 80.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.72 -39.02 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.277 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.9 tp -60.62 -55.11 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.794 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -57.9 -34.96 70.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.024 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.99 -45.4 89.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.672 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.84 -31.93 63.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.56 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.767 HG13 HD22 ' A' ' 77' ' ' LEU . 53.2 t -54.9 -39.24 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.049 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.0 -15.85 63.32 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.047 -0.597 . . . . 0.0 113.085 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.58 -14.03 16.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -102.55 -50.31 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -173.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.767 HD22 HG13 ' A' ' 73' ' ' VAL . 4.1 mm? -84.82 28.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.746 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.11 -125.06 6.3 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.172 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -146.11 -34.8 0.29 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.77 9.64 36.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.622 0.725 . . . . 0.0 109.911 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -125.45 102.82 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.504 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.89 73.77 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.55 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -139.17 176.73 8.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.749 0.309 . . . . 0.0 110.634 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -72.76 -35.47 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.692 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HD3' ' O ' ' A' ' 85' ' ' LYS . 1.7 tmtp? -58.85 -47.85 83.42 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -56.85 -47.71 79.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.762 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 37.4 mt -71.85 -29.01 63.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.804 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.3 -20.99 56.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.796 0.332 . . . . 0.0 111.19 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -74.88 -32.32 61.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.11 -53.62 8.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.525 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 48.4 m-85 -126.83 99.31 29.48 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.086 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.18 -18.38 50.84 Favored 'Trans proline' 0 N--CA 1.472 0.212 0 C-N-CA 123.216 2.611 . . . . 0.0 112.977 -175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -92.7 2.08 56.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 116.78 118.08 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.435 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.762 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.7 Cg_endo -50.89 -54.63 5.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 123.365 2.71 . . . . 0.0 112.999 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.15 -52.72 64.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.825 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -70.13 -44.53 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.342 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.81 92.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.4 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.723 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 16.2 p -66.3 -32.67 74.21 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 101' ' ' ARG . 7.6 ttm180 -55.33 -51.54 66.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.485 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.564 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -66.17 -30.75 71.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.298 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -86.92 -3.88 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.349 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.417 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 74.4 22.59 77.26 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.834 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.723 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 44.3 mt -87.73 139.23 31.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 O-C-N 122.74 -0.27 . . . . 0.0 110.605 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.0 141.52 86.37 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.749 2.299 . . . . 0.0 111.667 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -47.87 112.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.889 0.743 . . . . 0.0 111.996 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.413 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 83.2 Cg_endo -81.14 24.6 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.904 2.403 . . . . 0.0 111.871 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 m -92.62 -9.4 41.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.593 0.711 . . . . 0.0 109.472 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.81 40.69 0.66 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.41 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 108' ' ' PRO . 13.4 p -92.64 137.4 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.724 178.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.908 0.385 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.26 130.0 42.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.38 -179.8 5.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.492 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 1.6 p -142.54 125.08 15.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.922 0.391 . . . . 0.0 111.434 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.5 132.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.44 110.34 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.406 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.07 113.45 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.333 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 70.36 -70.88 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.934 0.771 . . . . 0.0 111.042 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.25 19.66 0.2 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.5 138.18 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.293 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 25.9 mt-30 -92.9 108.68 20.19 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.73 117.21 29.19 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.1 131.0 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.82 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.66 144.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.2 162.55 16.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.42 -24.56 45.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -98.25 7.92 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.21 49.86 5.08 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.552 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.664 ' HB3' ' HA ' ' A' ' 106' ' ' PRO . 91.5 m-85 -135.41 141.74 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.25 113.98 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 p -93.89 -22.31 18.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.086 0.47 . . . . 0.0 110.379 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -81.34 83.55 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.185 0.517 . . . . 0.0 110.489 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.33 74.58 10.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.144 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -111.68 -59.49 1.98 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.45 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -137.41 -50.49 0.62 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.655 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.2 t90 68.56 120.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.733 0.645 . . . . 0.0 111.035 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.13 150.39 42.39 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.661 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.66 -30.31 55.09 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 113.118 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.42 -26.95 62.58 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.657 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.53 -39.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.173 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.39 86.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.184 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.17 -54.71 42.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.532 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.3 p -66.08 -30.58 50.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.521 ' HG2' ' HG2' ' A' ' 101' ' ' ARG . 32.4 tpp -68.1 -50.84 52.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.37 -45.3 93.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.499 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 46.5 mt-30 -68.47 -38.56 81.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.49 -3.34 52.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.624 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 t30 60.33 56.66 3.13 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.75 0.786 . . . . 0.0 110.287 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -140.6 151.48 44.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.585 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -98.66 161.49 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -123.5 108.25 12.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.105 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -89.86 -174.89 4.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -56.08 -38.99 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.117 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' O ' HG12 ' A' ' 49' ' ' ILE . 45.6 mt-10 -75.6 -38.16 59.24 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.757 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.662 ' CD2' ' HG ' ' A' ' 90' ' ' LEU . 33.4 m80 -60.37 -50.9 71.75 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.556 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -60.36 -32.95 71.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.309 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.95 -49.09 73.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 45' ' ' GLU . 45.9 mm -61.52 -42.13 92.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.825 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 46' ' ' HIS . 91.0 mt -56.27 -52.09 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -67.0 -34.85 78.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.58 -44.29 96.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.505 HD23 HD12 ' A' ' 69' ' ' LEU . 17.8 mt -64.44 -37.61 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.336 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -60.53 -49.03 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.14 -40.22 96.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.12 -44.83 96.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.911 0.386 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -72.65 -40.63 66.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.801 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.28 -28.44 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.96 -56.59 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -96.11 -10.42 28.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.929 -170.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 62.46 27.74 16.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.712 0.405 . . . . 0.0 111.795 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tt -135.0 142.86 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.787 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.32 116.52 66.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.36 145.02 14.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.357 2.038 . . . . 0.0 113.123 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.0 176.84 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.405 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.88 -49.52 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.822 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -72.46 -33.36 66.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.91 -45.71 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.128 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.2 tp -60.49 -39.79 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.512 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 83' ' ' ASN . 58.0 m -50.86 -50.82 56.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.571 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.02 -30.46 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.032 0.444 . . . . 0.0 111.043 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.32 -36.35 66.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 69' ' ' LEU . 74.8 t -64.3 -39.35 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.611 178.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.93 -44.75 82.42 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.074 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -79.43 -11.15 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.578 -0.366 . . . . 0.0 111.19 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -73.95 -48.58 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.91 -43.93 70.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.226 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.21 -29.31 9.78 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.509 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -111.99 -169.37 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.07 87.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -151.3 87.31 1.38 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.914 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.601 ' HA2' ' HD2' ' A' ' 86' ' ' TYR . . . 139.41 81.85 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.027 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 27.4 t-20 -148.73 102.08 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t 55.34 -88.57 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -57.19 -29.42 63.67 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.953 0.501 . . . . 0.0 112.071 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.601 ' HD2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -58.72 -43.47 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.72 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 70.5 mt -80.28 -31.44 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.005 -176.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -69.53 -33.41 72.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.214 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.662 ' HG ' ' CD2' ' A' ' 46' ' ' HIS . 11.7 tp -67.25 -47.41 70.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 93.7 m-85 -118.08 99.02 51.89 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.435 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.53 -14.1 38.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.021 2.48 . . . . 0.0 112.704 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 41.4 m-85 -103.76 10.05 36.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.046 0.451 . . . . 0.0 110.545 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.96 111.64 2.54 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.831 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.72 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 86.6 Cg_exo -47.4 -66.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.582 2.855 . . . . 0.0 113.409 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.78 -40.62 83.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.759 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -61.46 -46.23 90.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 111.631 -173.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG3' ' HB2' ' A' ' 93' ' ' TYR . 11.6 mm100 -76.81 -42.13 41.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.16 90.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.337 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.732 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 19.7 p -69.55 -37.05 76.87 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.142 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.521 ' HG2' ' HG2' ' A' ' 34' ' ' MET . 26.7 ttm180 -57.75 -43.71 85.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -73.3 -30.46 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.54 -15.42 59.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.459 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.73 12.29 38.08 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 96.0 mt -93.56 152.39 40.85 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.596 0.236 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.664 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 70.2 Cg_endo -75.08 -166.83 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.076 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.0 tttm -81.24 112.94 37.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.363 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 2.9 Cg_exo -73.75 151.93 46.8 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.831 2.354 . . . . 0.0 112.082 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.2 t -161.88 155.15 20.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.96 163.35 30.08 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.969 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -113.77 -69.63 0.85 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.449 177.304 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.764 ' HE1' ' HG3' ' A' ' 16' ' ' GLU . 59.0 ttp . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.44 -147.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.165 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 14' ' ' VAL . 2.0 t70 -71.44 -173.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.129 0.49 . . . . 0.0 110.914 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.15 126.15 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 pt -89.35 144.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.092 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -115.05 119.56 36.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.822 0.344 . . . . 0.0 110.427 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.72 84.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.52 72.62 0.47 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.808 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.76 -36.78 2.65 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.488 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -90.28 120.42 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.86 0.362 . . . . 0.0 110.197 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.9 143.9 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 111.618 -173.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' HE2' ' HB3' ' A' ' 25' ' ' ASP . 93.3 m-85 -128.0 140.45 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.67 128.64 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.897 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 3' ' ' ASP . 33.7 m -109.58 168.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 111.798 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.434 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 11.1 t70 -98.71 179.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.856 176.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.764 ' HG3' ' HE1' ' A' ' 1' ' ' MET . 37.2 mt-10 -74.64 -18.56 60.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.595 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 32.7 mt-10 -78.99 -6.81 57.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.609 175.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.17 45.92 5.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.119 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD1' ' HB2' ' A' ' 17' ' ' GLU . 40.7 p90 -137.65 158.55 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.577 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 61.4 tp -67.46 125.37 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.124 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.3 t -97.53 -15.84 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -126.11 110.2 13.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.713 0.292 . . . . 0.0 111.558 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 105' ' ' LEU . 78.6 mt -84.22 76.51 10.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.459 0.647 . . . . 0.0 109.962 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -109.02 7.89 26.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.122 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' HB3' ' HE2' ' A' ' 12' ' ' PHE . 35.7 t70 179.91 -79.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.325 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.55 ' HE3' HH11 ' A' ' 54' ' ' ARG . 73.6 t90 60.22 104.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.726 0.81 . . . . 0.0 111.891 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.6 m -108.48 162.96 18.07 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.616 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 73.2 Cg_exo -49.97 -38.88 49.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.769 2.313 . . . . 0.0 112.633 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.03 -32.46 66.83 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.898 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.55 -46.9 94.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.56 91.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.716 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.48 -50.67 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.113 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.542 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 82.8 t -56.99 -48.25 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.74 0.305 . . . . 0.0 110.512 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 42.1 ttm -60.62 -49.43 77.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.63 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.164 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.624 ' HB2' ' HZ2' ' A' ' 36' ' ' LYS . 3.5 ttmp? -74.26 -26.0 59.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 26.0 mt-30 -64.4 -41.64 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.144 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.887 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.35 61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.937 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 tp -116.71 129.08 55.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -75.13 130.29 38.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.143 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.86 100.51 11.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.578 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -88.18 177.07 6.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 175.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.517 ' H ' HG22 ' A' ' 43' ' ' THR . 10.3 pt-20 -57.77 -34.57 69.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' O ' HG12 ' A' ' 49' ' ' ILE . 41.6 mt-10 -76.23 -30.92 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.289 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -63.53 -49.35 73.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -57.25 -40.93 78.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.935 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.81 -41.79 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.0 mm -62.86 -49.13 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.435 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG21 ' HB1' ' A' ' 103' ' ' ALA . 77.9 mt -59.76 -45.67 94.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 110.367 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.3 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.008 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 83.7 t80 -59.19 -37.92 78.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.878 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HB3' HD13 ' A' ' 105' ' ' LEU . 30.1 mt -62.28 -44.81 95.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.55 HH11 ' HE3' ' A' ' 26' ' ' TRP . 5.7 ptm180 -72.46 -22.03 61.14 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.532 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.09 -38.7 51.83 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.022 0.439 . . . . 0.0 110.408 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -66.15 -40.29 90.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -70.19 -36.58 74.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.275 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 7.0 tp10 -59.79 -36.01 75.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.282 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.37 -55.66 3.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.54 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -100.04 -12.07 20.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 61.92 23.86 14.11 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.33 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -114.83 134.93 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.118 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 108.63 59.66 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 128.27 17.5 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.258 1.972 . . . . 0.0 111.98 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.35 178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.34 -52.04 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 110.803 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.88 -38.52 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 110.062 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 HD11 HD22 ' A' ' 53' ' ' LEU . 54.8 tp -63.99 -30.72 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -56.53 -39.47 73.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.469 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -67.19 -45.74 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -63.34 -44.67 94.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.133 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.504 HG13 HD23 ' A' ' 87' ' ' LEU . 96.6 t -65.98 -42.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 80' ' ' GLU . . . -58.55 -37.44 88.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.395 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.24 -40.94 50.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -70.82 -39.8 72.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.021 -174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD13 HG11 ' A' ' 73' ' ' VAL . 11.0 mp -86.37 -47.51 9.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.187 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.91 146.48 16.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 54.5 40.68 31.99 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.738 0.415 . . . . 0.0 110.798 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.43 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 29.9 tt0 68.8 -85.9 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.694 0.622 . . . . 0.0 109.643 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 tptm 66.14 -61.69 0.28 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 111.451 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.94 64.35 3.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.304 -0.474 . . . . 0.0 111.954 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -66.81 162.54 21.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.831 0.453 . . . . 0.0 110.539 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.0 m -53.07 -41.64 65.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.931 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -73.81 -34.29 64.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -67.27 -42.65 83.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.111 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 57.9 mt -75.33 -26.3 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -79.92 -23.03 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.62 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 p -83.63 -24.82 31.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 87' ' ' LEU . 86.4 mt -66.62 -55.17 16.55 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.0 m-85 -131.83 101.37 15.45 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.897 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 91' ' ' PHE . 3.2 Cg_exo -76.75 5.96 4.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.524 2.816 . . . . 0.0 114.048 -172.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.9 16.14 15.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.275 0.56 . . . . 0.0 110.538 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.83 95.45 1.97 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.537 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 66.7 Cg_exo -37.55 -62.01 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 124.357 3.371 . . . . 0.0 114.399 -173.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.748 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.484 ' HA ' ' SG ' ' A' ' 100' ' ' CYS . 13.5 tmtt? -71.32 -31.04 66.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.124 0.487 . . . . 0.0 110.857 -173.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 51.2 tp60 -78.52 -39.08 39.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.443 0.639 . . . . 0.0 109.734 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.29 -39.67 71.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.023 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.742 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.0 p -68.24 -30.81 69.95 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.564 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 11.9 ttt180 -53.02 -52.97 56.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.181 171.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.431 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -71.41 -29.59 65.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.388 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.451 ' HB1' HG21 ' A' ' 50' ' ' ILE . . . -78.1 -13.41 59.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.712 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.577 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 80.4 24.25 59.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.703 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.742 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 57.4 mt -81.62 141.01 47.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.84 134.66 55.5 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.587 2.191 . . . . 0.0 111.491 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -51.22 108.19 0.99 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 123.932 0.77 . . . . 0.0 111.345 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.19 83.55 1.01 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.012 2.475 . . . . 0.0 112.073 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.2 m 73.17 -55.6 0.67 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.258 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.49 -61.59 3.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.477 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.06 119.81 18.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.791 0.329 . . . . 0.0 110.319 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.059 -179.711 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.775 ' HE1' ' HA ' ' A' ' 1' ' ' MET . 2.8 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.94 144.84 56.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.37 159.78 32.8 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.338 0.589 . . . . 0.0 111.106 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.464 HG21 ' HA ' ' A' ' 13' ' ' ALA . 20.7 p -123.44 151.99 42.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.562 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.495 HG13 ' HB2' ' A' ' 12' ' ' PHE . 39.8 pt -111.71 133.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -95.98 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.02 0.438 . . . . 0.0 110.087 -177.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 33' ' ' VAL . 45.5 t -129.47 122.67 56.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.381 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 69.98 8.15 6.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.089 0.556 . . . . 0.0 111.537 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.66 9.03 59.08 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.49 -174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 52.3 mttt -103.77 152.83 21.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -106.08 107.72 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.831 0.348 . . . . 0.0 110.135 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' HB2' HG13 ' A' ' 5' ' ' ILE . 93.9 m-85 -95.32 108.15 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -73.8 128.86 36.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.88 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.66 155.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.96 159.79 32.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.699 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.75 -21.84 66.13 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.592 0.234 . . . . 0.0 111.598 -176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.08 3.23 46.97 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.556 ' HA3' HH12 ' A' ' 101' ' ' ARG . . . 82.49 39.24 11.08 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.999 -0.619 . . . . 0.0 113.266 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -112.2 136.26 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.782 -0.246 . . . . 0.0 110.397 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.59 120.04 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 t -98.76 8.77 44.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -118.32 92.57 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.0 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -96.64 19.75 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.32 -25.76 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.24 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 31.1 t70 -152.67 -67.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.443 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.438 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 80.6 t90 69.92 123.08 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.544 0.688 . . . . 0.0 111.036 -173.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.34 157.26 47.67 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.553 175.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.82 -29.87 54.71 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.588 2.192 . . . . 0.0 112.14 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.21 65.33 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.753 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.16 -42.5 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.24 85.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.268 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 21.4 t70 -61.56 -51.84 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.81 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.431 HG23 HG22 ' A' ' 7' ' ' VAL . 85.3 t -65.1 -35.16 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.5 tpp -65.5 -45.52 83.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.054 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.44 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.723 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 68.3 mttm -62.95 -29.22 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -71.53 -35.22 70.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -89.74 -10.95 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.123 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 62.16 26.22 15.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.473 0.654 . . . . 0.0 110.404 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -107.98 108.61 19.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.68 134.1 46.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.077 0.465 . . . . 0.0 110.4 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.95 109.65 20.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -80.57 176.46 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.43 -34.27 70.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -75.15 -35.47 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.602 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -65.07 -48.68 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.281 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -60.72 -31.29 70.59 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.891 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.28 -42.81 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.08 -41.8 84.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.494 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 HG22 ' HB3' ' A' ' 103' ' ' ALA . 86.5 mt -58.67 -44.76 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.647 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 4.9 t30 -58.89 -45.86 89.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.01 176.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.06 -46.14 82.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 69' ' ' LEU . 16.7 mt -64.55 -35.42 80.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 111.191 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 7.9 mmm180 -68.35 -42.22 79.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.852 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.8 mt-10 -59.81 -43.55 94.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 109.91 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.48 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 14.6 t80 -65.59 -46.07 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.968 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -71.86 -39.33 69.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 1.8 tp10 -66.45 -24.05 66.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.947 0.403 . . . . 0.0 110.368 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.63 -60.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.261 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.45 -18.89 23.48 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 62.58 22.78 13.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.225 0.536 . . . . 0.0 110.78 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.97 135.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.52 115.43 64.47 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.217 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 12.8 Cg_exo -69.23 137.21 36.43 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.973 2.448 . . . . 0.0 112.662 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' HB1' ' HA3' ' A' ' 110' ' ' GLY . . . -74.66 170.84 15.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.22 -34.48 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.732 0.301 . . . . 0.0 111.455 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -72.98 -22.29 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.456 . . . . 0.0 110.929 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.78 -46.79 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' VAL . 57.7 tp -56.38 -56.39 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.199 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -53.95 -42.88 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.541 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.08 -29.77 58.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.05 -32.73 65.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.318 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 69' ' ' LEU . 93.7 t -58.28 -30.51 40.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.179 0.514 . . . . 0.0 110.473 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.5 -14.53 57.63 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -101.45 -15.04 17.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.318 0.559 . . . . 0.0 111.668 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -117.87 -30.6 5.35 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.761 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' HG ' ' HD2' ' A' ' 81' ' ' LYS . 61.8 tp -118.56 -28.12 5.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -173.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.575 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 170.07 124.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.42 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.19 -36.8 85.31 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.651 0.38 . . . . 0.0 111.665 -174.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 12.9 mp0 -107.7 5.49 26.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.345 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.557 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 41.1 ttmt -88.58 -72.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.736 -171.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.85 46.76 3.61 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.925 -172.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 80' ' ' GLU . 91.8 m-20 -89.32 -24.21 22.07 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -165.41 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.385 . . . . 0.0 112.001 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -53.48 -37.95 63.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.372 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.468 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 75.0 t80 -52.3 -55.88 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.704 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.477 HD13 HG21 ' A' ' 73' ' ' VAL . 52.0 mt -76.61 -31.19 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.68 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -73.4 -23.23 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 0.0 110.754 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -84.55 -28.84 26.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 57.2 mt -70.42 -48.1 57.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 176.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.522 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -127.61 96.28 33.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.347 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.11 -10.54 29.36 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.319 2.68 . . . . 0.0 112.983 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -101.65 7.58 42.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.264 0.554 . . . . 0.0 110.196 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.448 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 110.97 117.7 3.77 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.484 -177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.522 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 8.9 Cg_endo -50.87 -57.13 2.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.412 2.741 . . . . 0.0 112.72 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.86 74.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.587 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.55 -58.14 4.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.47 -37.02 74.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.81 86.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.397 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.1 p -68.42 -32.59 72.73 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.478 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.556 HH12 ' HA3' ' A' ' 18' ' ' GLY . 42.5 ttt85 -56.31 -41.21 75.6 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -84.03 -36.54 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.987 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.449 ' HB3' HG22 ' A' ' 50' ' ' ILE . . . -74.25 -4.42 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.903 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.73 58.74 6.1 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.951 -0.643 . . . . 0.0 111.926 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.764 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.5 mt -124.69 154.78 70.3 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.97 149.75 89.86 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.232 1.955 . . . . 0.0 111.254 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.11 108.47 1.63 Allowed Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 123.58 0.55 . . . . 0.0 111.388 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -91.14 -61.88 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.268 2.645 . . . . 0.0 112.543 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 m 70.08 -70.45 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.158 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.463 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . 66.51 23.82 72.16 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.907 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.94 84.21 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.094 0.473 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.42 179.468 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtm . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.398 0.142 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.01 144.82 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.847 0.717 . . . . 0.0 111.049 -174.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.26 -163.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.144 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.513 HG23 ' HA ' ' A' ' 13' ' ' ALA . 37.2 p -133.67 140.46 47.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.684 0.278 . . . . 0.0 110.803 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.8 pt -91.41 126.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.4 102.34 14.06 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.43 87.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 t70 69.0 -69.67 0.15 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.821 0.701 . . . . 0.0 111.358 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.59 16.01 2.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.725 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.35 105.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 18.2 mt-30 -92.8 106.68 18.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.002 0.43 . . . . 0.0 110.728 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -95.25 130.96 41.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.415 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HA ' HG23 ' A' ' 4' ' ' THR . . . -64.42 131.83 48.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.72 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.64 152.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.357 0.599 . . . . 0.0 111.624 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.2 158.82 34.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.416 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.01 -17.05 62.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.806 0.336 . . . . 0.0 111.043 -174.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.97 -14.03 56.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.738 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.75 53.7 1.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.764 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -137.78 137.25 38.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.1 108.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.94 0.4 . . . . 0.0 111.264 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -109.41 72.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.62 0.724 . . . . 0.0 109.316 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -167.94 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.273 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt 55.69 -118.03 1.2 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 65.06 -74.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.844 0.715 . . . . 0.0 111.991 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.61 -63.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.416 ' CE3' ' HD2' ' A' ' 54' ' ' ARG . 88.7 t90 69.97 113.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.872 0.733 . . . . 0.0 110.786 -174.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.94 153.78 37.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.719 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.98 -33.11 60.92 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.33 59.36 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.037 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.25 -41.22 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 109.978 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.75 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.268 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -59.01 -53.03 62.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 91.4 t -64.25 -41.2 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.406 ' HB3' ' HD1' ' A' ' 102' ' ' PHE . 32.4 tpp -59.71 -46.91 87.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.168 0.509 . . . . 0.0 110.075 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 40' ' ' LEU . . . -66.25 -35.02 79.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.112 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -58.36 -41.59 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.129 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 22.0 mt-30 -66.02 -46.75 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 1.2 m-20 -76.66 -14.42 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.18 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER 68.69 22.54 7.42 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.449 0.468 . . . . 0.0 110.907 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 9.0 tt -106.07 114.65 28.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.851 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -69.13 125.36 26.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.385 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.52 112.92 24.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.27 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -95.03 -175.49 3.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.97 -33.49 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.265 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.23 -52.47 63.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.463 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.7 m80 -64.28 -48.68 74.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.794 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -58.63 -36.08 73.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.755 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.91 -41.9 86.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.725 0.298 . . . . 0.0 110.614 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.88 -40.38 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.542 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.8 mt -59.84 -48.89 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.22 176.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -62.37 -40.82 97.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.287 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 66.3 t80 -58.99 -48.71 80.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.52 -34.15 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.038 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HD2' ' CE3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -56.51 -55.74 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.56 -47.68 83.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . 41.2 t80 -60.17 -45.98 91.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -76.63 -37.37 56.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.326 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.04 -13.83 59.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 111.021 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -109.95 -48.12 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 56' ' ' TYR . 93.4 m-85 -91.2 -16.18 28.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.3 26.78 13.74 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.776 0.43 . . . . 0.0 111.452 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.56 140.89 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.534 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.13 112.05 65.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -84.56 142.38 9.27 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.52 2.147 . . . . 0.0 113.499 -173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 -178.97 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.46 -38.51 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.955 0.407 . . . . 0.0 110.237 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -53.36 -35.5 60.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.685 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.71 -45.11 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -56.64 -41.56 77.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.526 -177.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 m -56.78 -41.14 77.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 111.876 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.12 -26.18 31.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 111.075 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.577 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -69.67 -42.0 74.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.286 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.689 HG11 HD21 ' A' ' 77' ' ' LEU . 75.7 t -60.53 -25.09 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.706 176.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.01 -22.05 64.35 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.832 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -87.61 -22.97 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.207 0.527 . . . . 0.0 110.181 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -88.82 -61.16 1.77 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.689 HD21 HG11 ' A' ' 73' ' ' VAL . 4.3 mm? -83.45 -21.49 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -175.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.15 -176.62 17.58 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.542 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -85.47 9.66 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.303 . . . . 0.0 111.294 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.677 ' HG3' ' HD2' ' A' ' 81' ' ' LYS . 9.1 pt-20 -120.34 5.78 10.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 111.338 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.677 ' HD2' ' HG3' ' A' ' 80' ' ' GLU . 8.8 mptt -129.97 161.96 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.17 4.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 65.84 -73.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.235 0.614 . . . . 0.0 111.658 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.6 t -178.28 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -58.77 -37.73 76.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.015 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.497 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.1 t80 -64.62 -32.95 74.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.668 0.27 . . . . 0.0 110.761 -176.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.2 mt -84.36 -32.1 24.41 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.241 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -76.64 -9.33 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.248 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 p -99.69 -32.45 11.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.204 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 40.5 mt -63.21 -51.28 66.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.007 0.432 . . . . 0.0 110.052 172.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -122.46 90.18 49.45 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.632 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.1 0.3 6.86 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.874 2.382 . . . . 0.0 112.651 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -110.76 10.1 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 109.96 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.3 105.18 2.14 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.768 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 83.1 Cg_exo -46.79 -66.87 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.632 2.888 . . . . 0.0 113.72 -174.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.56 80.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.659 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -68.94 -39.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.153 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -77.33 -38.69 49.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.673 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.505 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.954 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.6 p -69.93 -28.19 65.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -62.82 -39.41 94.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.69 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.406 ' HD1' ' HB3' ' A' ' 34' ' ' MET . 25.2 m-85 -84.17 -31.6 25.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.806 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.03 36.81 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.999 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.69 44.11 13.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.602 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.954 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 58.8 mt -117.16 134.37 23.05 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -82.05 48.35 2.79 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.879 2.386 . . . . 0.0 113.338 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 9.8 mtpm? 70.54 127.53 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 123.681 0.613 . . . . 0.0 112.365 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 10.8 Cg_exo -72.21 66.19 3.48 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.119 2.546 . . . . 0.0 111.455 174.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 m -94.62 154.89 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.406 -176.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.62 -40.38 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.546 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.9 m -95.3 18.51 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.993 0.425 . . . . 0.0 110.827 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.101 178.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.588 0.232 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.74 145.55 27.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.93 -176.31 2.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 2.8 p -134.64 120.19 19.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.815 0.34 . . . . 0.0 110.835 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.4 pt -89.91 136.35 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.65 106.71 19.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.221 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.43 118.51 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 67.4 -74.93 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.662 0.601 . . . . 0.0 111.02 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.67 16.1 0.32 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -116.05 143.61 45.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 88.0 mt-30 -107.46 105.4 15.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.171 0.51 . . . . 0.0 109.751 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -91.18 123.67 34.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.472 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.21 127.81 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.97 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -124.99 158.32 32.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.325 0.583 . . . . 0.0 111.948 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.02 151.1 48.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.409 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.53 -17.4 63.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -95.97 -18.27 20.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.647 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 114.76 65.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.91 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.3 152.35 48.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD23 HG13 ' A' ' 30' ' ' VAL . 25.5 tp -84.29 121.16 27.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.463 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 m -92.29 11.17 26.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.186 0.517 . . . . 0.0 110.654 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -134.32 90.41 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.954 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.3 mt -88.06 13.75 10.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.878 0.371 . . . . 0.0 111.263 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.97 -46.26 30.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.345 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -99.01 -90.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.407 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.423 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 85.1 t90 62.54 102.95 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.524 0.73 . . . . 0.0 111.615 -175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.71 159.77 29.72 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.54 -34.06 32.67 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.65 2.233 . . . . 0.0 112.858 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.58 58.47 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.122 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 HD23 ' A' ' 20' ' ' LEU . 89.8 t -65.57 -42.96 94.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.39 76.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.714 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -56.32 -57.14 13.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.175 0.512 . . . . 0.0 110.324 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.02 -37.25 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.825 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.9 tpp -66.96 -49.22 66.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . . . -64.85 -32.59 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -59.73 -35.63 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 37' ' ' GLN . 14.5 mm-40 -66.81 -42.08 86.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.989 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.73 -4.68 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.958 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 39' ' ' ASN . 0.9 OUTLIER 63.66 27.8 14.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.917 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.0 tp -99.23 139.5 34.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.284 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -82.31 130.33 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.72 94.06 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.594 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.48 ' HG1' ' CE1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -92.21 -171.79 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.089 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -50.1 -53.12 29.43 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.989 0.423 . . . . 0.0 111.506 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' O ' HG12 ' A' ' 49' ' ' ILE . 27.2 mt-10 -68.76 -41.1 79.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.223 -175.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.48 ' CE1' ' HG1' ' A' ' 43' ' ' THR . 78.1 m80 -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.352 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -63.16 -40.64 98.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 37.2 t70 -73.17 -25.22 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.249 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -68.12 -44.96 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 102' ' ' PHE . 44.0 mm -62.78 -44.7 99.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.552 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 31.9 t30 -55.12 -47.09 75.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.627 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 73.9 t80 -60.86 -43.73 97.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.551 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 HD22 HD12 ' A' ' 69' ' ' LEU . 32.7 mt -61.62 -38.89 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 110.395 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 17.6 tpt180 -60.71 -49.16 78.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.362 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.0 mt-10 -61.46 -48.4 81.32 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 110.781 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.65 -41.8 98.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.952 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 61.4 t80 -69.75 -38.78 76.92 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.548 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -42.28 85.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.099 -0.375 . . . . 0.0 111.646 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.64 -46.75 11.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.89 -16.6 25.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.577 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 12.6 tp60 63.17 23.97 14.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.088 0.47 . . . . 0.0 111.217 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 tt -139.46 144.89 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 122.26 -0.275 . . . . 0.0 110.646 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 108' ' ' PRO . . . -95.34 125.69 48.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.18 149.04 35.43 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.457 2.105 . . . . 0.0 113.019 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.78 178.2 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.446 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -60.13 -43.85 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 110.279 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -65.65 -39.31 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.23 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD12 HD22 ' A' ' 53' ' ' LEU . 63.2 tp -61.12 -50.26 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.127 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 m -56.13 -42.77 77.42 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.994 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.68 -47.01 77.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.045 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.522 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -72.16 -39.6 68.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.672 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 69' ' ' LEU . 97.5 t -63.29 -30.81 50.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -72.29 8.44 6.83 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.943 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -132.97 -45.64 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.666 0.27 . . . . 0.0 110.344 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -63.3 -44.93 93.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 tp -98.11 -38.66 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.022 0.439 . . . . 0.0 110.357 -176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.412 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 155.65 152.71 6.3 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.218 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -65.18 -41.53 94.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.017 0.437 . . . . 0.0 111.101 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -87.93 -29.18 21.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.522 0.677 . . . . 0.0 109.761 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -72.78 -41.81 64.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.707 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.42 60.18 4.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -90.43 151.08 21.56 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.53 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 24.9 m -57.9 -50.47 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.291 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -58.27 -36.29 73.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.25 -43.8 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.353 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.2 -40.85 97.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.243 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.53 ' HD1' ' O ' ' A' ' 84' ' ' SER . 63.9 m-85 -73.73 -17.79 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.26 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 m -83.52 -30.74 26.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.491 . . . . 0.0 109.729 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.61 -50.97 18.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.791 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.9 m-85 -120.36 96.71 49.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.84 -25.09 39.53 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.201 2.601 . . . . 0.0 113.288 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -93.73 14.37 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 110.864 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.06 116.58 3.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.756 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.502 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 72.3 Cg_exo -49.76 -56.03 3.54 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.352 2.701 . . . . 0.0 112.776 -177.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.92 80.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.416 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.2 -54.13 50.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.566 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.438 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.8 mm-40 -63.58 -47.53 81.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.31 84.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.848 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -62.68 -35.85 81.01 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.41 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.647 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 39.2 ttm180 -58.62 -44.65 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.967 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 35' ' ' ALA . 13.5 m-85 -79.65 -31.94 41.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.376 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.09 -10.09 59.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.57 12.35 67.11 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.61 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 88.3 mt -86.21 142.33 35.72 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.41 -179.96 3.6 Favored 'Trans proline' 0 CA--C 1.527 0.161 0 C-N-CA 122.446 2.098 . . . . 0.0 111.572 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -50.41 107.16 0.74 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 123.521 0.513 . . . . 0.0 111.403 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.477 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 14.4 Cg_endo -90.46 -29.36 0.18 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.252 2.635 . . . . 0.0 112.946 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -78.68 83.92 4.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.262 0.554 . . . . 0.0 110.813 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.79 -109.99 0.3 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.437 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.2 p -140.43 108.32 5.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.898 0.38 . . . . 0.0 110.442 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.947 179.176 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.57 -73.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.784 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -142.7 172.26 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.5 p -138.47 157.49 46.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.846 0.355 . . . . 0.0 111.765 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 pt -126.49 143.58 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.09 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -91.81 104.14 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 0.0 110.355 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.03 85.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.601 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 55.85 81.13 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.807 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 19.5 59.37 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.528 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -145.32 139.29 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.11 116.19 30.71 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.046 0.451 . . . . 0.0 110.252 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -98.21 126.7 43.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.393 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 22' ' ' ASN . . . -70.15 118.15 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.032 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.02 157.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.15 162.97 18.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.78 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.97 -22.85 67.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.684 0.278 . . . . 0.0 111.055 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -74.15 -11.48 60.31 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 175.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.96 17.24 54.46 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 14.2 m-85 -93.25 -175.55 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.729 0.412 . . . . 0.0 110.227 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.93 108.91 21.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -83.41 -27.79 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.0 110.344 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.536 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . 18.1 t-20 -85.83 78.58 9.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 109.995 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.71 114.35 9.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.42 -60.21 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.552 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.485 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 36.0 t70 -141.92 -49.66 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.528 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.485 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 77.3 t90 74.03 133.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.867 0.729 . . . . 0.0 111.647 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.4 m -118.25 150.17 47.16 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.737 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.39 -28.81 74.55 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.692 2.261 . . . . 0.0 112.593 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.31 64.81 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.838 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.34 -46.76 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.82 94.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.446 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.07 -56.49 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.492 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.15 -26.52 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.956 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.558 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 50.6 ttm -75.37 -48.49 22.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.726 0.298 . . . . 0.0 110.43 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.94 63.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.39 -43.76 96.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.111 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -70.89 -36.16 72.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -9.93 59.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.537 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 54.16 45.14 28.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.825 0.821 . . . . 0.0 110.236 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -113.36 110.27 20.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.403 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.64 109.44 3.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.784 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.17 103.5 10.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -87.97 -178.88 6.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.515 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.76 -43.19 80.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' O ' HG12 ' A' ' 49' ' ' ILE . 1.7 mp0 -57.85 -44.33 86.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.686 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.41 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.8 m80 -64.77 -49.16 71.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.674 178.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -60.63 -36.74 79.38 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.348 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.23 -41.5 89.98 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.517 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.7 mm -63.07 -43.43 98.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.107 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 46' ' ' HIS . 89.2 mt -60.03 -50.6 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.366 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -60.4 -47.21 87.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.084 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.65 -37.9 85.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD22 ' HD2' ' A' ' 64' ' ' PRO . 1.2 tt -71.25 -40.8 70.8 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 54' ' ' ARG . 23.5 tpt85 -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.967 175.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.12 -42.5 80.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.665 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.19 -42.56 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -66.08 -45.94 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.839 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -62.76 -35.72 80.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 111.077 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -84.61 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.775 -175.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.0 -8.13 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 64.82 21.74 12.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -122.05 141.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.227 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.81 104.46 9.35 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' HD2' HD22 ' A' ' 53' ' ' LEU . 45.0 Cg_endo -69.61 122.9 9.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.698 2.265 . . . . 0.0 113.012 -174.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 174.93 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.725 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.68 -46.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -65.07 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.249 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.4 t -75.16 -49.9 26.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' O ' HG22 ' A' ' 73' ' ' VAL . 58.2 tp -59.03 -48.6 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.038 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.0 m -61.91 -33.99 75.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 111.207 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -73.93 -30.95 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.989 0.423 . . . . 0.0 110.284 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.16 60.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.179 0.514 . . . . 0.0 110.605 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 69' ' ' LEU . 77.4 t -61.56 -27.13 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.122 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -70.93 -3.36 51.02 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.564 -0.743 . . . . 0.0 113.02 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -103.86 -53.27 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.553 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.63 -42.7 16.4 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' HB2' HG11 ' A' ' 73' ' ' VAL . 3.7 mm? -88.4 -45.33 10.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.188 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 158.14 166.64 17.76 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.045 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.5 -32.05 64.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 0.0 110.879 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -31.3 21.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.393 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.79 -37.47 64.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.638 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.61 60.75 4.65 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.699 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -129.44 -73.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.486 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 66.4 m -163.46 -59.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -177.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -48.53 -49.98 33.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.107 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 63.6 t80 -58.05 -48.67 79.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.648 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 73' ' ' VAL . 4.2 mm? -69.35 -38.0 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.7 -176.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.486 ' HD1' ' O ' ' A' ' 84' ' ' SER . 66.9 m-85 -76.83 -21.8 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.344 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 p -82.26 -21.66 36.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.514 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.0 mt -82.29 -52.55 6.82 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.938 0.399 . . . . 0.0 110.328 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.533 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 65.6 m-85 -125.52 90.58 50.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.244 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.51 -18.48 38.14 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.907 2.404 . . . . 0.0 112.401 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -91.09 5.7 47.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.186 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.51 105.61 1.33 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.823 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.533 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 82.2 Cg_exo -46.57 -66.25 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.657 2.905 . . . . 0.0 113.205 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.76 69.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.416 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 97' ' ' LYS . 3.3 mmmp? -59.5 -49.93 75.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -176.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.66 -41.34 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.081 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.58 -50.78 72.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.5 p -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.038 0.447 . . . . 0.0 110.639 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.558 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 45.7 ttt180 -61.73 -46.96 87.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.443 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -74.47 -23.03 58.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.19 -7.34 55.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.443 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . 80.08 33.31 33.17 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.578 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.505 ' O ' ' HD2' ' A' ' 19' ' ' TYR . 72.6 mt -102.23 163.33 17.92 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 173.87 11.0 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.207 1.938 . . . . 0.0 111.287 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -79.04 116.21 58.35 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.336 0.588 . . . . 0.0 111.096 -174.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 6.2 Cg_exo -79.74 115.34 3.33 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.002 2.468 . . . . 0.0 111.105 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.5 m -105.78 105.5 15.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.672 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.32 -94.5 0.1 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.006 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.2 m -81.55 91.74 6.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.163 178.004 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.49 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.73 157.87 36.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.776 0.798 . . . . 0.0 112.468 -167.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.53 HG21 ' HA ' ' A' ' 13' ' ' ALA . 75.0 p -119.77 147.06 45.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.844 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.544 ' CG1' ' HB2' ' A' ' 12' ' ' PHE . 31.2 pt -88.87 125.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.82 107.01 19.22 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.491 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.19 107.7 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 71.66 -1.45 2.8 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.743 0.652 . . . . 0.0 111.137 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -18.17 8.3 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -85.51 138.21 32.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.78 113.96 27.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.096 0.474 . . . . 0.0 111.527 -173.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.544 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 93.4 m-85 -94.36 121.37 35.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.993 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -64.17 121.23 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.468 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 20' ' ' LEU . 28.1 m -128.68 155.88 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.953 176.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 -175.35 3.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.713 0.292 . . . . 0.0 110.842 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.3 -27.46 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.45 0.67 55.19 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.735 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.31 13.76 65.21 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.583 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.52 133.33 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.32 0.56 . . . . 0.0 110.426 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HA ' HG13 ' A' ' 14' ' ' VAL . 31.7 tp -70.24 114.46 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.246 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -75.55 -22.19 57.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.325 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -98.54 88.41 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 111.357 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.09 84.05 7.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.231 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -178.65 -48.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.128 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.09 11.67 24.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.838 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -51.44 133.14 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.818 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.28 161.47 61.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.332 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -53.06 -36.6 76.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.653 2.235 . . . . 0.0 112.778 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.47 -27.33 63.27 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.9 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 HD13 ' A' ' 5' ' ' ILE . 75.1 t -59.31 -49.77 82.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.34 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.67 79.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.943 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.21 -57.46 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.191 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 60.2 t -63.05 -38.32 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 42.0 ttm -64.72 -41.01 96.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.63 76.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.019 0.438 . . . . 0.0 110.305 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.85 -33.86 76.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.117 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 27.9 mt-30 -74.09 -36.62 64.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.19 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -86.44 -11.21 52.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.92 76.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.806 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.1 tp -150.95 142.44 23.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.963 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -94.04 143.21 26.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.68 101.36 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.068 0.461 . . . . 0.0 110.989 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -91.76 -175.21 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.833 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.12 -43.32 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.279 . . . . 0.0 110.683 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.559 ' O ' HG13 ' A' ' 49' ' ' ILE . 1.9 pm0 -65.85 -36.33 83.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -63.53 -50.01 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -62.13 -40.8 97.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -35.57 81.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.313 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 45' ' ' GLU . 72.1 mt -66.83 -45.48 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 110.377 176.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -62.08 -43.1 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.467 . . . . 0.0 109.927 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.73 -40.91 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.568 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.59 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 61.9 t80 -61.72 -41.57 97.81 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 69' ' ' LEU . 90.2 mt -70.31 -39.46 74.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.3 tpt85 -56.59 -47.19 80.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.224 174.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.63 -53.04 31.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.125 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.67 -41.68 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.879 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 75.3 t80 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.05 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.74 -37.47 70.56 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -79.14 -65.32 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.13 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -78.66 -16.79 56.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.702 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 24.9 mm-40 64.29 26.22 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.789 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.66 143.7 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.102 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -99.66 128.78 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.322 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -82.22 140.23 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.234 2.623 . . . . 0.0 113.046 -177.398 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.95 179.74 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.218 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.64 -40.63 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.601 0.238 . . . . 0.0 111.525 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 ttt85 -70.51 -36.04 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.08 0.467 . . . . 0.0 110.723 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 t -75.5 -40.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 53' ' ' LEU . 56.0 tp -61.86 -52.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -55.81 -36.4 67.4 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.262 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -55.7 -47.96 75.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.601 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.36 -38.98 55.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.979 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.496 HG11 HD22 ' A' ' 87' ' ' LEU . 73.2 t -55.49 -42.42 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.465 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -59.34 -42.7 97.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.891 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -80.12 -34.92 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 111.0 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HE2' ' HB2' ' A' ' 52' ' ' PHE . 46.3 tttp -72.3 -45.72 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.92 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.487 HD11 HG12 ' A' ' 73' ' ' VAL . 11.0 mp -80.43 -33.27 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.29 -97.08 0.16 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.8 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -139.09 -73.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 111.811 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -80.92 -7.21 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 111.557 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.23 -6.06 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.302 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.465 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -120.77 81.76 0.34 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.735 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -142.95 -66.62 0.38 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.4 p -174.79 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.487 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -49.19 -59.74 3.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.068 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.92 -40.52 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD22 HG11 ' A' ' 73' ' ' VAL . 29.1 mt -75.68 -33.27 60.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -79.95 -11.05 59.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.92 0.391 . . . . 0.0 110.811 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -85.66 -27.76 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.53 -55.29 5.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 94.6 m-85 -118.32 105.26 46.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.723 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.11 -8.81 20.27 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.717 2.278 . . . . 0.0 113.63 -174.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.19 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.303 0.573 . . . . 0.0 109.831 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.8 110.77 0.42 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.973 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.49 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 6.6 Cg_endo -49.32 -54.55 5.27 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.314 2.676 . . . . 0.0 112.783 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.01 67.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -67.63 -42.29 82.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.601 -173.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' OE1' ' HB3' ' A' ' 91' ' ' PHE . 50.7 mt-30 -70.49 -42.91 70.75 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.68 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.97 81.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.6 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.771 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -63.47 -37.27 86.65 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -55.71 -45.63 77.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.769 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.01 -31.11 72.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.4 52.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.459 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.5 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 95.61 6.88 59.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.422 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.771 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.4 mt -85.73 121.74 73.2 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 122.763 -0.257 . . . . 0.0 110.572 -177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 19.2 Cg_endo -60.26 159.07 28.04 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.545 2.163 . . . . 0.0 110.9 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.516 ' H ' ' HD3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -50.67 109.07 1.18 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 111.578 -175.125 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -91.71 14.45 1.83 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.157 2.572 . . . . 0.0 112.408 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.8 p -73.48 -31.58 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.5 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.32 52.95 49.55 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.43 118.88 9.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 111.21 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.594 -0.717 . . . . 0.0 109.369 176.794 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.531 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 44.8 ttp . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.489 ' N ' ' HG2' ' A' ' 1' ' ' MET . . . -152.19 172.35 16.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.42 -169.41 2.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 13.7 p -138.32 137.3 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.935 0.398 . . . . 0.0 111.776 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.5 pt -105.08 137.2 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.166 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -88.39 109.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.059 0.457 . . . . 0.0 110.221 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.469 HG22 HG23 ' A' ' 33' ' ' VAL . 58.2 t -129.65 114.43 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.366 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 58.49 30.34 19.59 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.892 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -11.38 71.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.547 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -95.76 168.69 10.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.686 0.279 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.535 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 15.8 pt20 -128.92 105.95 8.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.448 0.642 . . . . 0.0 110.151 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' THR . 97.7 m-85 -91.8 134.4 34.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.163 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 126.14 30.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.249 0.547 . . . . 0.0 111.483 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.15 144.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.64 157.7 33.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.737 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 1' ' ' MET . 35.2 mt-10 -54.06 -30.46 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.397 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.38 -1.18 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.58 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.66 28.97 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.86 173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 92.5 m-85 -113.83 151.07 32.62 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.8 120.01 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.657 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.5 p -91.05 -18.2 24.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -106.18 95.8 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.937 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 104' ' ' GLY . 85.9 mt -94.84 -156.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.271 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' HB3' ' A' ' 23' ' ' LEU . 64.0 t30 78.16 -37.14 0.22 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.699 0.799 . . . . 0.0 111.218 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.39 -88.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.749 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.622 ' HE3' HH11 ' A' ' 54' ' ' ARG . 87.1 t90 63.25 125.66 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.62 0.768 . . . . 0.0 111.87 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.98 153.07 63.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.171 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -53.34 -28.37 43.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.105 2.537 . . . . 0.0 112.804 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' HG21 ' A' ' 33' ' ' VAL . . . -60.25 -29.04 67.83 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.35 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.44 -44.3 86.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.12 89.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -51.67 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG23 HG22 ' A' ' 7' ' ' VAL . 99.7 t -63.12 -42.84 98.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.684 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.41 ' HE1' ' HB2' ' A' ' 34' ' ' MET . 34.9 tpp -58.54 -54.02 51.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.65 78.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.502 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -55.93 -42.07 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.91 -36.89 80.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.5 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.16 3.45 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.605 0.24 . . . . 0.0 111.434 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.0 m120 66.9 53.8 0.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.296 0.57 . . . . 0.0 111.052 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -140.56 145.03 36.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.143 175.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -108.84 145.39 35.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -111.5 115.61 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.161 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.488 ' HB ' ' OE1' ' A' ' 44' ' ' GLU . 41.6 p -95.8 -174.95 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 1.7 pm0 -60.14 -31.49 70.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.205 0.526 . . . . 0.0 110.06 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' ILE . 37.9 mt-10 -60.9 -51.35 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.908 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.442 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.3 m80 -64.52 -46.93 80.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.855 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -58.82 -38.83 79.53 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.654 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.7 -40.95 92.8 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.56 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -65.38 -43.06 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.771 0.32 . . . . 0.0 110.471 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 46' ' ' HIS . 81.5 mt -60.5 -48.17 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.04 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.52 -40.63 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.014 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 81.1 t80 -60.92 -39.34 89.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.713 HD22 HD11 ' A' ' 69' ' ' LEU . 38.3 mt -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.006 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.622 HH11 ' HE3' ' A' ' 26' ' ' TRP . 20.2 ttt85 -61.22 -50.68 72.12 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.165 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.73 -34.26 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' PHE . 17.5 t80 -65.55 -40.75 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.088 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -75.72 -37.06 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.7 -42.3 88.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.08 -59.91 1.86 Allowed 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -81.36 -23.67 37.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.531 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 64.93 21.74 12.37 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -117.97 139.92 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.68 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.14 108.59 47.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.401 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 10.9 Cg_exo -70.28 134.95 28.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.912 2.408 . . . . 0.0 113.072 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.33 -178.48 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.98 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.82 -40.89 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.928 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.08 -38.78 89.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.1 t -78.82 -48.74 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.373 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.713 HD11 HD22 ' A' ' 53' ' ' LEU . 64.9 tp -57.02 -52.54 64.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.446 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -55.01 -47.46 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.484 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.07 -37.54 87.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.028 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.26 -32.81 69.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.795 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 69' ' ' LEU . 90.7 t -61.27 -43.1 95.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 110.684 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.15 12.12 7.34 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.974 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -105.56 -34.28 7.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 110.225 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -96.73 -49.95 4.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.277 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 81' ' ' LYS . 37.1 tp -70.61 -58.69 3.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.536 -169.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.87 158.53 31.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.417 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.38 -28.88 70.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -126.15 22.87 7.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 0.0 110.075 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HB3' HD21 ' A' ' 77' ' ' LEU . 48.0 mttm -112.92 84.55 2.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.076 174.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 37.91 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.48 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.48 -176.11 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.512 ' O ' ' HD2' ' A' ' 88' ' ' TYR . 10.2 m -54.48 -66.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.75 -24.97 67.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.102 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 21.2 t80 -56.2 -51.92 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.204 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.29 -35.01 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.306 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.512 ' HD2' ' O ' ' A' ' 84' ' ' SER . 49.6 m-85 -69.38 -27.33 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.674 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -82.62 -27.03 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.61 0.243 . . . . 0.0 110.937 175.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 85.7 mt -67.11 -56.47 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.0 110.011 175.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 90.2 m-85 -123.78 105.63 32.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.25 -43.57 22.91 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.982 2.455 . . . . 0.0 113.042 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.523 ' HB3' HE21 ' A' ' 98' ' ' GLN . 50.8 t80 -88.84 61.27 5.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.419 0.628 . . . . 0.0 110.437 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.39 110.06 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.681 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.535 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 84.2 Cg_exo -45.68 -55.1 3.82 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.403 2.735 . . . . 0.0 112.901 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.64 -39.41 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.543 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -61.88 -54.35 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.523 HE21 ' HB3' ' A' ' 93' ' ' TYR . 69.4 mm-40 -64.06 -49.62 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.25 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.602 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.589 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.3 p -66.87 -36.47 82.39 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.652 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.22 -38.04 87.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -74.13 -35.61 64.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.904 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.03 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.519 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 91.76 5.22 66.73 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.404 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 61.9 mt -78.36 140.62 60.73 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.71 160.32 37.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 111.909 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 19' ' ' TYR . 44.3 tttm -58.74 110.12 2.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.549 -176.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -94.36 154.02 2.04 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.241 2.628 . . . . 0.0 113.269 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 t -164.37 158.57 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.477 176.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -103.82 61.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.207 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.9 p -74.59 -36.57 63.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 110.563 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.246 176.61 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.813 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 14.8 mmt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.637 0.256 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.67 157.74 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -128.95 -178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.7 119.52 14.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 111.146 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.3 pt -94.06 137.04 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.768 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.03 110.0 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.311 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -112.01 84.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t70 40.98 80.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.534 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.49 -29.97 5.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.443 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.63 131.75 45.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.87 0.367 . . . . 0.0 111.392 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -102.89 106.64 17.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.904 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -98.4 119.87 37.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.11 0.481 . . . . 0.0 110.931 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.98 127.4 33.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.6 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.13 142.06 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.656 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -176.09 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.316 . . . . 0.0 110.72 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.17 -19.74 60.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.366 -173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.08 -0.72 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.249 0.547 . . . . 0.0 110.515 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.99 31.07 27.04 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.746 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -109.8 153.87 23.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.381 . . . . 0.0 110.532 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -71.06 119.21 14.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.2 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -86.09 -20.62 28.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 0.0 111.58 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.99 107.86 19.09 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD21 ' O ' ' A' ' 104' ' ' GLY . 74.4 mt -95.39 -177.01 3.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.822 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 52.55 18.95 1.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.813 1.245 . . . . 0.0 113.341 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.65 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 t90 30.84 106.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.698 1.599 . . . . 0.0 114.791 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.86 153.85 40.56 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.191 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.18 -30.37 50.42 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.743 2.295 . . . . 0.0 112.62 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 -31.0 75.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.827 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.3 t -59.27 -50.44 79.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.456 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.69 91.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.847 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 14.0 t70 -63.48 -56.81 13.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.541 HG13 HE21 ' A' ' 37' ' ' GLN . 81.4 t -60.82 -36.66 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.425 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 43.5 ttm -68.68 -42.55 77.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.783 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.58 91.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.367 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 1.6 mptm? -62.42 -31.97 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.541 HE21 HG13 ' A' ' 33' ' ' VAL . 77.2 mt-30 -74.84 -24.89 58.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -101.35 0.71 37.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.618 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 69.56 48.0 0.63 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.493 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.1 tp -135.04 140.67 45.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.85 153.58 18.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -118.78 110.11 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.8 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 p -93.62 -178.25 4.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.015 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.18 -31.0 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.021 0.439 . . . . 0.0 110.206 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' HH ' ' A' ' 86' ' ' TYR . 4.9 mm-40 -70.81 -44.6 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.797 178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -61.98 -47.01 86.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -59.93 -35.74 75.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.33 -38.29 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.698 0.285 . . . . 0.0 110.616 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.4 mm -67.17 -44.43 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.422 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.29 -44.77 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.978 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 15.2 t-20 -59.29 -44.85 92.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.646 176.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.54 -44.47 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 53' ' ' LEU . 14.0 mt -65.79 -37.96 87.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.84 -51.29 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 14.6 mm-40 -60.87 -46.94 88.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.503 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.68 -49.7 76.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -73.17 -37.65 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.382 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.77 -34.97 74.51 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.983 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.32 -40.68 12.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -104.07 -12.7 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 65.29 23.82 12.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.094 0.558 . . . . 0.0 111.275 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.87 129.87 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.36 109.06 43.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.26 143.86 22.73 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.46 2.107 . . . . 0.0 112.664 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 111' ' ' CYS . . . -82.29 -176.05 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.445 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -47.62 -57.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -58.39 -45.97 87.28 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.776 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.03 -46.77 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.981 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.532 ' O ' HG21 ' A' ' 73' ' ' VAL . 54.7 tp -60.62 -51.21 70.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.715 HG23 ' H ' ' A' ' 84' ' ' SER . 22.4 m -62.61 -28.63 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.34 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.71 -34.98 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.08 -27.56 43.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.559 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 69' ' ' LEU . 96.4 t -60.35 -35.97 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.778 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.68 -11.85 63.35 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.256 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -93.73 -22.85 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.841 0.353 . . . . 0.0 110.49 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HD3' ' C ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -101.75 -62.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 109.894 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.61 -33.39 60.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.66 171.78 13.62 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 80' ' ' GLU . 35.5 mtmm -77.79 150.66 34.28 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 45.3 mt-10 75.38 -39.41 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.794 0.684 . . . . 0.0 110.422 -173.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -81.08 -0.86 41.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.815 0.817 . . . . 0.0 109.055 168.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.59 172.4 21.91 Favored Glycine 0 N--CA 1.438 -1.182 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 172.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.3 t30 65.5 94.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.534 0.683 . . . . 0.0 112.035 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.715 ' H ' HG23 ' A' ' 70' ' ' THR . 8.8 t 68.95 -79.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.943 171.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -47.64 -67.64 0.26 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -167.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' HH ' ' HG3' ' A' ' 45' ' ' GLU . 3.0 t80 -62.72 -34.89 78.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.804 -170.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.6 mm? -68.0 -40.68 82.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.264 . . . . 0.0 110.919 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' HD2' ' O ' ' A' ' 84' ' ' SER . 55.7 m-85 -76.18 -20.32 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.745 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.5 m -83.01 -30.46 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.558 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 78.9 mt -78.1 -49.71 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.522 176.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.516 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 58.6 m-85 -116.9 92.52 39.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.435 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -71.29 -13.01 30.57 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.527 2.152 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.93 4.08 54.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.497 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.464 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 122.43 109.66 2.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.882 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.0 Cg_endo -48.2 -65.85 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.733 2.955 . . . . 0.0 113.404 -176.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.84 80.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.115 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -54.06 -53.62 50.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -71.72 -46.75 57.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.135 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.94 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.638 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.716 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.2 p -70.21 -33.88 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.469 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.425 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 78.9 ttt180 -60.83 -49.17 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.64 -28.16 66.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.6 -13.19 59.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.515 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 95.3 -1.76 64.85 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.716 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.8 mt -65.54 122.47 80.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.735 0.302 . . . . 0.0 110.537 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 71.8 Cg_endo -75.51 48.04 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.424 2.75 . . . . 0.0 113.277 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 106' ' ' PRO . 49.9 mtmt 75.01 123.92 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.967 0.792 . . . . 0.0 111.861 178.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 13.7 Cg_exo -69.9 152.58 68.62 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.909 2.406 . . . . 0.0 111.33 175.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.8 p -68.73 -33.58 74.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 0.0 111.213 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.83 172.6 13.18 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.831 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 10.8 p -119.08 25.79 9.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.235 0.54 . . . . 0.0 109.994 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.251 1.132 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.445 -178.113 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.568 ' HA ' ' OE2' ' A' ' 16' ' ' GLU . 20.1 ptp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.636 0.255 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.88 63.47 2.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 109.735 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.74 -169.39 2.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.07 -167.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.486 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.5 p -135.27 139.38 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.364 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.473 HD11 HG12 ' A' ' 30' ' ' VAL . 32.9 pt -99.52 141.59 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -97.84 107.95 20.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 110.532 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.66 101.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.773 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 58.45 55.61 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.694 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.15 -21.21 7.2 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.782 -0.644 . . . . 0.0 113.292 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -104.4 142.64 34.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -104.3 134.22 47.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.083 0.468 . . . . 0.0 111.23 -175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.78 134.12 55.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.207 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -70.51 125.99 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.514 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.512 HG13 ' HA ' ' A' ' 20' ' ' LEU . 33.5 m -128.01 169.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.061 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.86 -175.56 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 17.0 tt0 -69.49 -19.24 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.616 0.246 . . . . 0.0 111.422 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.29 -28.76 23.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.318 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.69 0.67 12.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 101' ' ' ARG . 20.8 m-85 -65.06 125.9 26.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.802 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 31.9 tp -54.45 104.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.449 0.468 . . . . 0.0 110.15 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -94.79 -2.46 50.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -107.34 82.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 89.51 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.274 0.559 . . . . 0.0 111.041 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -96.72 -37.64 10.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.408 176.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 13.7 t70 -166.79 -38.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.689 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.513 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 83.5 t90 79.72 122.68 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.095 0.872 . . . . 0.0 110.951 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -115.14 151.86 46.13 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.688 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -49.95 -34.95 39.23 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.296 2.664 . . . . 0.0 113.165 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.3 67.09 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.791 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG12 HD11 ' A' ' 5' ' ' ILE . 78.3 t -60.94 -48.16 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.64 78.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.785 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.24 -55.1 39.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.563 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.19 -37.46 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.47 . . . . 0.0 110.517 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.521 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 34.5 ttm -68.27 -45.37 73.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.898 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -33.72 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.372 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.02 -21.13 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.041 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.17 -31.03 15.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.437 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.39 -12.64 59.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 69.56 47.3 0.67 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.539 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.2 tp -133.41 141.88 48.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.81 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -84.09 139.88 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.6 mt -101.45 95.22 6.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 110.177 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.0 m -95.5 166.6 11.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.759 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -51.4 -33.11 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' O ' HG12 ' A' ' 49' ' ' ILE . 13.8 mm-40 -56.15 -58.9 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.146 172.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -61.1 -41.22 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.174 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -56.73 -42.96 80.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.518 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.432 ' CG ' ' HZ1' ' A' ' 76' ' ' LYS . 16.0 t70 -76.1 -28.48 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.881 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.2 mm -63.78 -46.79 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.466 HG22 ' HB3' ' A' ' 103' ' ' ALA . 69.9 mt -64.7 -41.67 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.933 175.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 38.5 t30 -57.29 -49.68 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.893 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 mt -64.98 -36.09 83.29 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.588 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -67.01 -48.54 68.07 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.685 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 45.7 mt-10 -53.21 -44.24 67.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.817 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -77.23 -39.13 49.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.693 0.282 . . . . 0.0 111.534 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -70.0 -30.15 67.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.778 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.01 -64.79 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.556 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -75.84 -9.42 58.58 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.666 -172.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.73 19.97 11.45 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.868 0.467 . . . . 0.0 111.792 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 tt -136.95 144.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.845 0.355 . . . . 0.0 110.758 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.95 121.59 47.34 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.925 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -83.9 164.68 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.942 2.428 . . . . 0.0 113.64 -174.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.552 ' HB2' ' HA3' ' A' ' 110' ' ' GLY . . . -95.2 -180.0 5.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -54.66 -47.27 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 123.101 0.251 . . . . 0.0 111.647 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.72 -51.11 68.46 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.06 0.457 . . . . 0.0 110.977 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.82 -46.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.936 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 73' ' ' VAL . 65.8 tp -56.73 -56.97 14.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.33 -178.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.501 HG23 HD22 ' A' ' 87' ' ' LEU . 19.1 m -55.87 -37.0 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.06 -175.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -82.65 -28.42 30.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.29 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.66 55.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.976 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 69' ' ' LEU . 86.1 t -57.72 -29.52 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 176.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.566 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -69.6 -10.35 63.55 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.375 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.12 -19.8 15.61 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.612 -0.346 . . . . 0.0 111.215 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HZ1' ' CG ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -117.3 -35.68 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.818 -169.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -100.3 -45.61 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.844 0.354 . . . . 0.0 110.514 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.566 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 171.0 149.18 6.34 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -73.58 -15.09 61.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.279 0.539 . . . . 0.0 111.746 -173.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -77.84 -24.37 48.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 8.8 mptt -87.93 110.23 20.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.326 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.91 -25.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.261 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -63.32 139.82 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 174.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -59.74 -26.96 66.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.655 0.264 . . . . 0.0 110.618 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -46.56 -45.46 18.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.97 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -59.69 -58.51 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.983 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.501 HD22 HG23 ' A' ' 70' ' ' THR . 4.4 mm? -69.71 -34.26 73.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.745 -174.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.32 -6.83 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.2 m -94.19 -30.54 14.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.75 -44.97 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.505 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 82.9 m-85 -121.98 103.23 39.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.281 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.05 -5.54 14.55 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.1 2.534 . . . . 0.0 113.021 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.26 16.12 13.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.86 101.75 2.12 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.337 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.505 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 72.5 Cg_exo -49.3 -60.37 0.89 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.43 2.753 . . . . 0.0 112.956 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.65 76.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' HA ' ' HG ' ' A' ' 100' ' ' CYS . 54.6 tttp -72.22 -44.97 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -172.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -68.47 -43.78 76.23 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.21 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.72 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.757 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.5 p -69.0 -27.71 65.94 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.523 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.517 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 44.0 ttm180 -61.34 -50.19 73.95 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.521 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 23.0 m-85 -64.67 -33.91 77.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.057 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HB3' HG22 ' A' ' 50' ' ' ILE . . . -78.0 -23.18 48.42 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.388 0.43 . . . . 0.0 111.549 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.802 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 86.89 30.52 20.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.444 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 75.9 mt -86.76 116.66 66.78 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.94 86.8 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.225 2.617 . . . . 0.0 113.312 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HA ' ' HD2' ' A' ' 108' ' ' PRO . 14.0 ptmm? 35.57 88.24 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 124.587 1.155 . . . . 0.0 113.115 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 9.4 Cg_endo -51.89 122.82 11.13 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.639 2.892 . . . . 0.0 113.124 -176.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.445 HG21 ' SG ' ' A' ' 111' ' ' CYS . 11.2 m -87.43 90.41 8.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.774 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.552 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -80.6 91.73 1.39 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.496 -176.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.445 ' SG ' HG21 ' A' ' 109' ' ' THR . 25.7 p -165.98 -166.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.517 176.375 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.87 151.56 25.45 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -135.51 -164.15 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.009 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 21.5 p -136.53 131.82 34.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -176.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.489 HD12 HG12 ' A' ' 30' ' ' VAL . 30.2 pt -95.22 128.27 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -93.56 102.35 14.54 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.289 0.566 . . . . 0.0 110.75 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.09 129.46 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.078 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t70 65.98 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.588 0.555 . . . . 0.0 110.172 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 8.42 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -112.61 137.37 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.521 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 0.4 OUTLIER -89.07 108.66 19.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.094 176.06 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.01 124.41 35.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.01 123.32 21.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.629 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 20' ' ' LEU . 23.5 m -133.09 152.68 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.009 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -179.08 5.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.61 -25.11 60.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.62 -18.23 56.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.109 0.481 . . . . 0.0 109.762 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.53 17.61 13.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.299 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -87.02 139.91 30.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.065 0.432 . . . . 0.0 110.452 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.699 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 54.5 tp -63.81 116.73 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -84.27 -21.33 31.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.111 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -106.84 88.47 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.212 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.97 105.03 16.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -147.47 -71.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.422 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.34 -62.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 66.9 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.721 0.638 . . . . 0.0 111.259 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.75 155.59 77.03 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.619 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.04 -34.32 46.4 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.887 2.391 . . . . 0.0 112.639 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.43 -27.66 63.65 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.126 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG12 HD12 ' A' ' 5' ' ' ILE . 84.6 t -65.33 -50.7 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.03 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.92 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.084 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.4 -39.31 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.984 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.96 -46.77 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.261 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.84 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.736 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.14 -25.24 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.518 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -74.79 -50.99 15.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.248 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -16.57 64.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.874 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 t30 66.1 61.77 0.61 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.722 0.772 . . . . 0.0 109.974 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 tp -129.51 113.45 14.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.461 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.96 101.1 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.45 103.91 3.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -91.98 -176.36 4.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.481 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.54 -37.3 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.542 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 49' ' ' ILE . 36.5 mt-10 -72.34 -37.2 68.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.579 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.31 -47.27 71.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -61.4 -35.31 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.451 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.22 -38.14 75.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.953 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.0 mm -62.0 -47.37 93.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.195 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -44.32 91.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.068 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.7 t30 -55.31 -49.76 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.991 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' HZ ' ' HB3' ' A' ' 72' ' ' ALA . 65.6 t80 -61.29 -38.7 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 53' ' ' LEU . 24.3 mt -62.88 -37.5 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.007 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -69.06 -41.34 77.71 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.928 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 50.8 mt-10 -56.45 -51.92 66.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.596 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.08 -39.92 87.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -68.38 -45.77 71.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.24 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -70.46 -17.9 62.99 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.97 -49.89 6.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -109.23 -6.25 15.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 59.98 28.91 18.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.375 0.607 . . . . 0.0 110.527 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -122.4 124.89 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.801 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.59 110.96 50.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.51 162.57 21.98 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.589 2.193 . . . . 0.0 113.565 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.24 -162.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.614 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.18 -65.52 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -70.67 -27.53 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.666 0.269 . . . . 0.0 111.055 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.12 -40.5 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.074 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.576 ' O ' HG21 ' A' ' 73' ' ' VAL . 67.6 tp -64.23 -50.38 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.345 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -48.42 -42.5 32.33 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.726 0.641 . . . . 0.0 112.04 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -56.87 -43.61 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.543 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HB3' ' HZ ' ' A' ' 52' ' ' PHE . . . -90.51 -7.88 51.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.748 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 69' ' ' LEU . 73.5 t -63.72 -31.38 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.5 176.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.66 -24.53 69.71 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.732 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -86.98 -25.78 24.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HG3' HD11 ' A' ' 77' ' ' LEU . 60.2 tptt -89.09 -60.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.392 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD13 HG11 ' A' ' 73' ' ' VAL . 10.4 mp -86.38 -66.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.561 -174.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.03 -170.83 43.21 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.016 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -78.56 110.93 14.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.798 0.332 . . . . 0.0 110.717 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 61.91 12.62 4.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.949 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.28 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.415 ' HA3' HG13 ' A' ' 73' ' ' VAL . . . -76.69 -40.4 26.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p30 38.43 -96.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 112.819 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -168.35 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.23 -39.18 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.505 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -59.0 -45.03 91.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 2.7 mm? -61.83 -40.62 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.58 -18.03 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.707 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -81.37 -31.11 33.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.993 0.425 . . . . 0.0 110.004 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.4 mt -71.06 -47.77 56.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.87 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.528 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 55.2 m-85 -124.04 95.29 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.08 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.22 -22.25 61.11 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 123.243 2.628 . . . . 0.0 112.869 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -84.79 -7.88 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.083 0.468 . . . . 0.0 110.406 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 130.05 119.03 2.09 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.306 -0.717 . . . . 0.0 111.306 -175.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.528 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 10.3 Cg_endo -52.18 -56.76 2.6 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.514 2.809 . . . . 0.0 112.829 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.84 76.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -51.14 -60.24 3.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.84 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -68.97 -42.48 76.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.466 -175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.27 90.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.613 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -70.84 -34.18 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 110.252 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -58.7 -52.23 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.679 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -68.1 -26.68 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.48 -20.69 54.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 111.522 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.699 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 99.14 17.54 26.99 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.894 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 92.9 mt -87.15 114.84 60.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.76 84.17 1.28 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 123.094 2.53 . . . . 0.0 113.596 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 mttm 54.2 65.63 5.1 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.153 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.53 -18.32 48.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.977 2.451 . . . . 0.0 112.893 -172.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.2 t -64.82 -22.09 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.024 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.41 74.71 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.562 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.0 t -142.58 29.48 1.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.246 0.906 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.679 -178.343 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.74 -170.07 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.653 0.595 . . . . 0.0 110.654 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -132.12 156.84 45.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.799 0.333 . . . . 0.0 110.587 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 13' ' ' ALA . 35.8 p -125.57 127.82 46.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.814 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.52 HG13 ' HB2' ' A' ' 12' ' ' PHE . 19.6 pt -89.54 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 109.996 174.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.12 109.31 20.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.506 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.2 t -120.74 92.04 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.757 0.313 . . . . 0.0 111.459 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 61.22 44.53 9.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.113 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.46 36.46 23.41 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.776 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -150.23 122.28 8.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 117.45 31.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.735 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HB2' HG13 ' A' ' 5' ' ' ILE . 94.6 m-85 -105.47 116.09 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.281 176.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HA ' HG23 ' A' ' 4' ' ' THR . . . -76.45 121.96 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.31 151.89 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.213 0.53 . . . . 0.0 111.134 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.64 162.77 28.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.901 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.53 -17.9 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' HZ3' ' A' ' 107' ' ' LYS . 44.3 mt-10 -90.7 -1.12 57.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.88 38.97 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.553 175.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -98.81 138.77 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.223 0.511 . . . . 0.0 110.649 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.98 126.81 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -86.35 -36.23 19.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.026 0.441 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -91.09 83.93 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.922 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 104' ' ' GLY . 75.8 mt -87.62 88.53 7.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -163.99 -44.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.104 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.08 -87.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 66.79 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.991 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.13 160.42 68.59 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.402 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.56 -34.22 51.42 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.689 2.259 . . . . 0.0 112.281 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -28.72 62.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.094 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.09 -52.13 64.32 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 120.964 0.411 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' ' 102' ' ' PHE . . . -67.31 -40.92 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.434 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.48 ' CG ' ' HZ2' ' A' ' 36' ' ' LYS . 12.2 t70 -58.37 -59.39 5.41 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.324 -178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.63 -39.12 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.852 ' HG2' HH21 ' A' ' 101' ' ' ARG . 41.3 ttm -67.89 -38.22 82.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.0 69.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.427 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' HZ2' ' CG ' ' A' ' 32' ' ' ASP . 55.5 mttp -72.53 -23.03 60.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.57 -47.18 87.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.256 0.55 . . . . 0.0 109.636 173.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -15.77 57.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.732 176.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 65.83 81.54 0.2 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.549 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.52 122.5 22.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.781 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -72.07 104.56 3.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.051 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.92 91.76 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -179.65 6.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 173.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.262 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -63.63 -47.48 81.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.202 173.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -45.59 75.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.271 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.66 -31.3 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.425 ' CG ' ' HZ3' ' A' ' 76' ' ' LYS . 14.0 t70 -64.0 -44.63 92.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.187 177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.69 -44.08 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.616 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.34 -46.88 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 50.5 t30 -61.25 -46.51 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.097 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' HB2' ' HZ1' ' A' ' 76' ' ' LYS . 86.2 t80 -58.06 -40.88 82.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD23 HD11 ' A' ' 69' ' ' LEU . 25.8 mt -70.43 -32.41 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.34 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -66.09 -44.38 84.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 41.0 mt-10 -66.5 -33.29 75.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.517 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.57 -49.38 76.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.48 -34.08 75.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.2 0.524 . . . . 0.0 110.331 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.73 -41.33 99.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.378 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.65 -51.09 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.61 -22.39 50.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.127 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 64.46 24.02 13.05 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.599 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 tt -147.31 148.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.05 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -96.83 132.19 26.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.83 152.27 8.6 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.71 2.273 . . . . 0.0 113.35 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.92 177.94 7.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.137 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.56 -38.4 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -174.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.32 -12.91 61.0 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.6 t -93.62 -47.18 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD11 HD23 ' A' ' 53' ' ' LEU . 64.3 tp -57.8 -40.38 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.5 m -56.57 -41.2 76.51 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.81 -33.37 62.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.581 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.72 95.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.66 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.48 HG12 HD21 ' A' ' 77' ' ' LEU . 92.6 t -62.13 -34.7 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 109.96 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.96 -24.44 70.13 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.607 177.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -82.72 -43.0 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.008 0.432 . . . . 0.0 110.354 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.61 ' HZ1' ' HB2' ' A' ' 52' ' ' PHE . 81.7 tttt -81.63 -50.28 9.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.947 -173.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 73' ' ' VAL . 4.2 mm? -87.85 -46.69 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.328 . . . . 0.0 111.156 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.41 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 149.0 170.09 16.32 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.392 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.853 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.13 -30.17 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.87 9.11 40.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.032 0.444 . . . . 0.0 111.457 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -112.82 -13.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.11 49.42 4.23 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.943 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -135.36 153.94 51.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.1 m -57.12 -29.61 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.257 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.91 -46.26 67.95 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.967 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.93 -35.97 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.348 0.594 . . . . 0.0 110.785 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.615 ' HB3' ' HG3' ' A' ' 95' ' ' PRO . 4.5 mm? -76.1 -36.51 58.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.492 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -81.35 -14.54 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 p -84.88 -27.02 26.96 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.026 173.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.64 -47.91 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.601 171.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.496 ' CB ' ' HA ' ' A' ' 95' ' ' PRO . 75.3 m-85 -129.42 111.7 17.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.695 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.59 -24.05 14.14 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.743 2.295 . . . . 0.0 113.278 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -115.64 71.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 111.555 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.65 84.77 0.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.615 ' HG3' ' HB3' ' A' ' 87' ' ' LEU . 9.9 Cg_endo -52.94 -42.06 66.74 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.417 2.744 . . . . 0.0 113.549 -176.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.07 96.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.478 ' HZ2' ' C ' ' A' ' 112' ' ' VAL . 46.0 mtpt -73.13 -45.98 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.72 -175.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -46.91 85.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.065 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.35 91.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.491 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.746 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.5 p -70.1 -34.25 72.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.977 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.852 HH21 ' HG2' ' A' ' 34' ' ' MET . 30.5 ttp180 -58.78 -44.41 90.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.151 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.411 ' HB3' ' CB ' ' A' ' 31' ' ' ALA . 20.1 m-85 -67.36 -33.82 76.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.15 -8.73 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.006 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.452 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.45 -0.83 66.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.613 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.746 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 85.1 mt -72.12 127.52 90.32 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.519 0.2 . . . . 0.0 110.911 -177.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.25 171.31 11.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.742 2.295 . . . . 0.0 112.124 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 30.9 ttmt -63.23 111.45 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 -177.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.442 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 85.6 Cg_endo -87.17 -8.89 6.36 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.844 2.363 . . . . 0.0 112.727 -179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.522 HG22 HG22 ' A' ' 112' ' ' VAL . 6.4 m -83.35 -50.36 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.441 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.83 45.41 34.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.062 -177.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.8 t -166.54 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.522 HG22 HG22 ' A' ' 109' ' ' THR . 15.4 m . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.365 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.27 170.99 0.32 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.781 0.676 . . . . 0.0 110.662 -176.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -170.23 -170.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.507 HG21 ' HA ' ' A' ' 13' ' ' ALA . 74.2 p -121.27 128.89 52.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.205 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.489 HD13 HG13 ' A' ' 30' ' ' VAL . 27.7 pt -91.79 127.33 44.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.23 107.61 19.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.011 0.434 . . . . 0.0 110.188 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -100.47 115.51 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.57 -79.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.946 0.778 . . . . 0.0 110.865 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.05 13.62 1.11 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.671 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -124.03 132.97 53.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.594 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -88.15 120.34 29.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.51 127.85 48.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.33 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -83.66 114.55 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -176.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 20' ' ' LEU . 15.6 m -123.5 150.41 27.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.196 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.33 155.08 34.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -67.57 -17.62 64.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.276 0.56 . . . . 0.0 110.405 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 37.9 tt0 -67.27 -17.37 64.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.685 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 92.85 51.91 2.2 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.487 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' HE1' ' SG ' ' A' ' 100' ' ' CYS . 66.0 m-85 -141.02 135.28 30.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 14' ' ' VAL . 55.8 tp -65.59 114.7 5.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 t -86.98 -19.75 28.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.337 0.589 . . . . 0.0 110.313 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -106.5 92.03 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.393 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 104' ' ' GLY . 68.3 mt -81.88 105.06 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -167.28 -33.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -124.01 -86.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.61 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.3 t90 69.57 110.09 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.523 0.729 . . . . 0.0 111.646 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -117.94 156.88 49.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.686 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.42 -31.04 76.02 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.956 2.438 . . . . 0.0 112.556 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.72 -34.95 72.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.491 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG13 HD13 ' A' ' 5' ' ' ILE . 88.0 t -57.63 -48.02 84.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.372 . . . . 0.0 110.494 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . . . -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.37 -49.11 72.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.8 t -65.04 -36.96 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.054 0.454 . . . . 0.0 110.734 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.5 ttm -65.35 -50.73 64.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 -27.02 68.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.787 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -64.49 -35.62 81.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.94 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.81 -35.62 51.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -77.97 -7.54 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.57 32.31 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 109.798 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.2 tp -107.28 151.55 25.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.333 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -85.21 143.66 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.789 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.7 mt -117.92 90.52 3.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.007 172.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.1 p -91.1 -177.71 4.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.067 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.81 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.091 0.472 . . . . 0.0 109.897 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 tp10 -72.22 -49.18 37.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 50' ' ' ILE . 70.3 m80 -61.54 -50.76 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.935 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -59.68 -33.0 71.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.34 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.06 -48.46 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 45' ' ' GLU . 42.5 mm -63.2 -43.1 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.4 mt -57.3 -51.55 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.747 178.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -68.89 -35.78 77.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.68 -40.24 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 69' ' ' LEU . 18.7 mt -64.64 -42.26 95.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.132 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -63.39 -44.83 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.639 -0.424 . . . . 0.0 109.951 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.04 -49.35 73.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.896 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -61.8 -38.0 86.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.662 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 60.6 t80 -74.04 -41.11 62.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.242 -177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.12 -22.28 60.57 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.277 -0.265 . . . . 0.0 111.42 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -94.44 -58.82 2.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -84.88 -21.45 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 84.5 mm-40 65.54 20.05 11.6 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.152 -176.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.5 mt -117.54 139.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 108' ' ' PRO . . . -99.34 109.98 56.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.16 129.31 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.055 2.503 . . . . 0.0 113.28 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.91 -173.96 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.196 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.59 -35.47 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -174.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.21 -12.12 55.36 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.63 -41.33 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.963 0.411 . . . . 0.0 110.804 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.697 HD13 HD21 ' A' ' 53' ' ' LEU . 56.5 tp -59.71 -39.54 84.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -178.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -59.22 -44.42 92.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 111.416 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.99 -42.11 97.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.39 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.253 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.2 -39.19 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 80' ' ' GLU . . . -61.61 -31.77 79.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.049 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -88.3 -21.92 24.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -77.43 -42.43 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.738 ' HG ' ' HE2' ' A' ' 81' ' ' LYS . 3.8 mm? -79.67 1.2 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.267 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.96 -58.98 4.99 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.27 149.47 21.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.514 ' HA ' ' HA2' ' A' ' 74' ' ' GLY . 2.0 mp0 -71.54 68.85 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.208 0.528 . . . . 0.0 110.038 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.738 ' HE2' ' HG ' ' A' ' 77' ' ' LEU . 40.1 ttpt -71.34 -40.99 70.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.798 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.3 46.82 2.84 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.663 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.54 -48.09 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.4 p -161.31 -72.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -54.11 -42.31 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.426 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 12.0 t80 -64.01 -47.02 81.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.414 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 HD12 ' A' ' 90' ' ' LEU . 36.7 mt -68.82 -31.11 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.612 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -74.61 -24.15 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m -82.16 -32.38 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.811 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD12 HD23 ' A' ' 87' ' ' LEU . 89.4 mt -68.12 -46.36 71.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.222 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.683 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 52.1 m-85 -129.07 92.29 39.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.88 -16.37 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.285 2.657 . . . . 0.0 113.303 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -96.69 13.5 28.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.429 0.633 . . . . 0.0 109.785 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.59 114.21 2.12 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.409 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.508 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 77.2 Cg_exo -50.8 -60.1 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.106 2.537 . . . . 0.0 112.348 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.32 79.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -57.36 -54.02 51.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.037 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.683 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 14.7 mm100 -79.12 -30.54 43.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.397 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.72 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.885 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 28.6 p -70.68 -29.79 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.268 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 58.7 ttt85 -49.52 -52.44 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.884 175.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 22.8 m-85 -81.23 -25.7 36.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.15 -16.39 60.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.514 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.63 1.94 63.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.472 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.885 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 68.0 mt -80.28 117.87 69.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 110.147 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.95 80.22 2.69 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.512 . . . . 0.0 114.094 -172.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.503 ' HD2' ' OE1' ' A' ' 17' ' ' GLU . 80.0 tttt 64.56 92.03 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.359 166.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.466 ' HD3' ' SG ' ' A' ' 100' ' ' CYS . 54.5 Cg_endo -99.09 41.99 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.948 3.099 . . . . 0.0 112.463 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.0 m -71.4 91.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.149 0.499 . . . . 0.0 111.362 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.72 121.84 5.71 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.569 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.7 m -82.76 -30.99 28.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.223 0.535 . . . . 0.0 110.068 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.093 178.434 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tmm? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.86 0.362 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -148.33 -75.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.625 0.25 . . . . 0.0 110.468 178.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.33 -179.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -143.01 129.12 19.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.61 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.6 pt -99.4 128.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.42 108.89 21.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.902 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.1 t -115.31 98.02 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.601 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.41 -65.3 0.3 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.639 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.34 0.73 0.95 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.184 -1.007 . . . . 0.0 113.501 -176.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.641 ' HZ3' ' HB2' ' A' ' 10' ' ' LYS . 4.6 ttmp? -130.82 136.21 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.409 0.604 . . . . 0.0 111.312 -178.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.79 113.1 25.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.573 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.45 118.93 30.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.504 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 27.6 m -119.68 157.94 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.244 0.545 . . . . 0.0 111.37 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.5 166.61 18.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.412 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.73 -20.0 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 0.18 56.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.774 174.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.47 22.64 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.613 175.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -99.75 137.32 38.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.19 0.495 . . . . 0.0 110.444 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 61.1 tp -71.16 117.79 13.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 109.923 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 t -91.81 31.67 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.057 0.456 . . . . 0.0 110.671 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -159.33 88.3 0.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.971 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 104' ' ' GLY . 65.9 mt -81.79 96.82 7.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.239 0.542 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -164.48 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.871 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.03 -88.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.548 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.454 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 87.3 t90 58.82 102.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.424 0.631 . . . . 0.0 111.32 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 29.4 m -96.43 160.64 29.17 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 173.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 9.6 Cg_endo -53.37 -33.14 65.14 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.514 2.143 . . . . 0.0 111.979 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.66 -31.14 63.37 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.904 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.97 -50.24 81.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.985 0.392 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 -42.45 87.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 32.9 t70 -61.46 -49.7 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.089 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 79.7 t -66.57 -39.17 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 0.0 110.686 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.448 ' HE2' ' HB2' ' A' ' 34' ' ' MET . 39.6 tpp -59.06 -51.02 71.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.098 0.475 . . . . 0.0 110.482 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.97 74.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 13.5 ttmm -61.66 -33.49 74.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 72.4 mt-30 -60.97 -34.62 75.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.53 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.405 ' CG ' HH12 ' A' ' 101' ' ' ARG . 4.2 m-20 -89.97 0.25 57.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.536 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m120 67.49 19.74 9.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.708 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.09 131.47 35.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.45 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.57 126.88 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -86.26 117.96 25.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.5 p -98.78 -170.74 1.98 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.191 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.72 -50.32 66.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.187 0.518 . . . . 0.0 110.788 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' O ' HG12 ' A' ' 49' ' ' ILE . 14.9 mp0 -66.72 -36.47 82.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.06 -178.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -62.57 -52.61 62.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.579 0.228 . . . . 0.0 110.714 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -59.16 -37.88 78.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.39 -48.96 75.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.099 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.1 mm -62.5 -46.56 96.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.926 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.0 -47.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.779 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 62.9 t30 -63.66 -44.17 94.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.461 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.57 -39.96 77.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.836 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.613 HD22 HD13 ' A' ' 69' ' ' LEU . 18.6 mt -62.32 -42.9 99.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.407 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 55.0 ttt180 -63.73 -46.42 85.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 17.8 mm-40 -52.29 -50.44 62.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.397 0.618 . . . . 0.0 110.666 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.96 -47.53 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.063 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.26 -31.28 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.703 0.287 . . . . 0.0 111.547 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.52 -27.98 62.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 110.404 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -91.04 -49.37 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.506 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -90.53 -25.43 20.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.66 23.48 13.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.469 0.652 . . . . 0.0 110.069 -170.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.17 128.37 73.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.979 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.39 116.13 66.05 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.597 0.236 . . . . 0.0 110.451 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.68 126.5 17.62 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.833 2.355 . . . . 0.0 112.732 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.94 -175.61 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.138 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.0 t -56.26 -48.81 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.632 0.253 . . . . 0.0 111.569 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.0 -45.33 86.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.994 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.159 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD13 HD22 ' A' ' 53' ' ' LEU . 59.5 tp -64.18 -51.53 63.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.1 m -59.43 -37.83 79.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.5 -39.33 93.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.951 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.62 -42.07 64.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.654 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.547 HG21 ' O ' ' A' ' 69' ' ' LEU . 95.6 t -58.94 -37.47 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.512 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -64.74 -15.56 60.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.242 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -109.15 -32.41 7.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.84 0.32 . . . . 0.0 111.231 177.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 76' ' ' LYS . 2.2 tmtp? -64.91 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 HD22 HG11 ' A' ' 73' ' ' VAL . 4.4 mm? -86.52 14.68 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.089 0.471 . . . . 0.0 110.796 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.34 -103.63 2.07 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.694 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -132.72 12.68 4.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.989 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 81' ' ' LYS . 14.5 tt0 -136.17 164.61 27.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.963 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 80' ' ' GLU . 62.7 mttp 74.1 -56.89 0.63 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.407 0.683 . . . . 0.0 112.623 173.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.512 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -54.89 103.55 0.21 Allowed Glycine 0 CA--C 1.519 0.328 0 O-C-N 123.205 0.316 . . . . 0.0 113.527 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.04 160.69 39.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 p -61.77 -43.82 98.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.982 0.42 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.2 -37.92 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.559 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.438 ' OH ' ' HG2' ' A' ' 45' ' ' GLU . 74.2 t80 -63.02 -42.66 99.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.786 -177.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.855 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 3.9 mm? -65.6 -37.47 86.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.13 -24.93 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 111.035 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.7 m -82.1 -20.48 38.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 110.547 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 95.4 mt -82.31 -50.14 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.785 174.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.558 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 35.6 m-85 -127.63 97.19 31.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.988 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.33 -26.96 55.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.032 2.488 . . . . 0.0 113.128 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -90.74 27.21 1.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.143 0.497 . . . . 0.0 110.673 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.431 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 107.78 114.49 3.83 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.855 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.2 Cg_endo -50.83 -64.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.281 2.654 . . . . 0.0 112.714 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.2 61.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -63.45 -54.86 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.322 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 10.5 mm-40 -67.17 -44.77 78.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.877 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.926 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.587 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.6 p -65.81 -37.71 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.405 HH12 ' CG ' ' A' ' 38' ' ' ASP . 40.7 ttt180 -58.41 -46.61 86.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.28 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -67.74 -29.29 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.13 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.82 -10.09 49.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.926 0.393 . . . . 0.0 111.258 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.472 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 80.76 21.87 62.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.647 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.587 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 71.7 mt -84.27 143.81 42.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.624 0.25 . . . . 0.0 110.849 -178.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.23 163.48 23.02 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.709 2.273 . . . . 0.0 111.508 174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 93.8 mttt -63.73 112.74 7.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.476 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 11.2 Cg_exo -71.06 -32.95 12.46 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.274 2.649 . . . . 0.0 112.487 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 50.9 m -110.13 107.7 17.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.586 -178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.77 44.95 1.16 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.36 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.6 m -78.45 77.66 4.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 0.0 110.166 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.138 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.976 0.417 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' VAL . . . -159.31 175.97 12.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.344 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -108.91 159.6 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 p -123.24 116.96 24.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.2 pt -89.15 131.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -103.8 99.62 9.4 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.439 HG22 HG23 ' A' ' 33' ' ' VAL . 47.6 t -94.18 113.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.583 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 68.66 -74.36 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.811 0.694 . . . . 0.0 110.396 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.87 20.1 0.43 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -120.09 122.5 41.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -90.89 115.09 27.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.388 . . . . 0.0 110.624 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.29 127.91 50.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.37 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.42 123.03 25.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.728 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.522 HG13 ' HA ' ' A' ' 20' ' ' LEU . 27.3 m -128.89 143.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.52 162.94 26.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.01 -16.34 63.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.35 -8.35 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.692 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.86 17.88 33.95 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.133 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.532 ' OH ' ' HG3' ' A' ' 97' ' ' LYS . 76.3 m-85 -94.57 125.77 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.083 0.441 . . . . 0.0 111.492 -177.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.522 ' HA ' HG13 ' A' ' 14' ' ' VAL . 62.2 tp -58.38 117.85 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -95.95 12.12 31.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -138.94 92.15 2.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.649 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -84.49 93.63 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.056 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -146.94 -62.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.7 -81.13 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.3 t90 65.8 109.43 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.824 0.85 . . . . 0.0 112.147 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.36 157.63 38.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.641 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.72 -26.44 56.3 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.892 2.395 . . . . 0.0 112.244 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG21 ' A' ' 33' ' ' VAL . . . -60.47 -36.02 90.25 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.181 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG12 ' HE1' ' A' ' 34' ' ' MET . 57.4 t -59.09 -42.18 85.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 121.009 0.433 . . . . 0.0 110.241 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.92 70.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.937 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.38 -42.44 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.69 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 HG23 HG22 ' A' ' 7' ' ' VAL . 77.7 t -60.69 -41.95 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.279 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.53 ' HA ' HE21 ' A' ' 37' ' ' GLN . 66.9 mtm -75.5 -34.08 60.82 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.645 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.52 91.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.241 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -60.88 -37.72 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.86 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.53 HE21 ' HA ' ' A' ' 34' ' ' MET . 49.8 mt-30 -69.63 -27.51 65.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.76 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.42 -6.37 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.572 0.701 . . . . 0.0 109.752 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.9 42.49 12.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.713 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -113.74 122.86 48.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.41 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.14 120.62 26.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.279 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -83.64 105.98 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.491 HG23 ' OE2' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.96 175.54 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' OE2' HG23 ' A' ' 43' ' ' THR . 1.8 mp0 -58.07 -38.04 75.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.309 0.504 . . . . 0.0 110.732 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.96 -38.58 91.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.076 0.465 . . . . 0.0 110.359 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.547 ' O ' HG12 ' A' ' 50' ' ' ILE . 63.1 m80 -64.97 -48.15 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -60.29 -29.81 69.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.012 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.03 -49.25 76.76 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.67 -44.34 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.832 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 46' ' ' HIS . 48.2 mm -59.12 -49.49 83.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.76 -44.55 93.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.466 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD21 HD11 ' A' ' 69' ' ' LEU . 24.0 mt -68.79 -29.11 67.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.2 -53.2 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.34 -34.09 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.918 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.88 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.1 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -75.43 -32.56 60.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.519 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.47 -47.48 72.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.84 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -95.17 -58.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.777 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -73.21 -23.21 60.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -172.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 59.12 35.08 23.64 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.937 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -140.71 141.38 32.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.43 56.88 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.61 148.29 32.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.42 2.08 . . . . 0.0 113.002 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.518 ' HB1' ' HA3' ' A' ' 110' ' ' GLY . . . -84.76 -177.27 6.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.3 t -56.73 -54.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.963 -174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.08 -39.42 79.08 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.156 -0.217 . . . . 0.0 110.825 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -48.55 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.6 HD11 HD21 ' A' ' 53' ' ' LEU . 59.1 tp -63.25 -48.86 76.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.981 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -59.78 -37.51 79.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.099 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -64.66 -39.56 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.006 0.432 . . . . 0.0 110.068 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.34 -36.7 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.572 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 77' ' ' LEU . 79.6 t -62.51 -45.2 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.01 -20.4 66.81 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.511 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -77.44 -31.21 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.762 0.315 . . . . 0.0 110.491 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -96.63 -50.12 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.343 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.583 HD21 HG11 ' A' ' 73' ' ' VAL . 3.7 mm? -78.77 -14.41 59.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 0.0 111.134 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.78 153.23 28.24 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.632 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -71.65 -14.8 62.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.252 0.549 . . . . 0.0 110.461 -177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.87 -9.72 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.336 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -124.62 -38.31 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.76 79.82 1.53 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.234 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.554 ' O ' ' HB3' ' A' ' 86' ' ' TYR . 18.6 t-20 -100.13 164.6 11.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -64.36 -43.58 94.09 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.324 0.583 . . . . 0.0 110.07 176.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.01 -26.25 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.98 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.554 ' HB3' ' O ' ' A' ' 83' ' ' ASN . 90.7 t80 -60.49 -42.34 96.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.728 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.714 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.941 178.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -67.85 -28.03 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 111.033 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.1 t -71.04 -42.03 70.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.26 -46.05 52.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 0.0 110.805 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.645 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 71.6 m-85 -128.2 98.46 26.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.5 -45.88 3.2 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.864 2.376 . . . . 0.0 113.354 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -83.12 59.36 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.635 0.731 . . . . 0.0 110.268 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 88.75 104.87 1.02 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.854 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.714 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.5 Cg_endo -49.34 -56.93 2.69 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.32 2.68 . . . . 0.0 112.995 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.47 -37.91 59.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.532 ' HG3' ' OH ' ' A' ' 19' ' ' TYR . 56.6 tttp -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.32 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.7 mm-40 -66.99 -51.85 49.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.71 87.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.986 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.653 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 14.0 p -69.24 -36.49 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.348 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -47.16 84.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.633 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' HB2' HD13 ' A' ' 50' ' ' ILE . 21.4 m-85 -68.96 -30.52 68.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.914 0.388 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.72 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.985 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.62 10.12 86.47 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.469 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.653 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 89.6 mt -80.63 157.69 71.92 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.422 0.153 . . . . 0.0 110.597 -176.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.17 -174.27 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.938 2.425 . . . . 0.0 112.74 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.56 116.05 54.79 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.398 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.501 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 89.5 Cg_endo -88.8 101.79 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.982 2.455 . . . . 0.0 112.64 -176.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.8 m -96.08 -29.2 14.23 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.518 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . 76.85 18.56 78.72 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.07 177.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 67.4 m -125.75 105.12 8.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.775 0.321 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.509 178.811 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.47 -168.48 0.2 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.685 0.616 . . . . 0.0 109.615 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -166.72 173.53 9.5 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.476 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.413 HG22 ' HA ' ' A' ' 13' ' ' ALA . 34.0 p -132.67 129.25 38.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.438 HD11 HG11 ' A' ' 30' ' ' VAL . 29.9 pt -98.03 134.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.54 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.28 104.15 16.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 110.153 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.18 92.84 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.82 42.09 10.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.73 0.776 . . . . 0.0 110.266 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.51 -18.55 51.99 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.925 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -91.0 121.63 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.4 131.18 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 0.0 112.169 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -119.95 117.17 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.719 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.42 125.73 27.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -120.33 157.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.272 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.76 157.4 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.74 -17.96 64.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.954 0.407 . . . . 0.0 110.644 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 mm-40 -86.58 2.56 47.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.563 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.87 -14.48 60.18 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.915 172.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -77.36 134.88 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.165 0.483 . . . . 0.0 109.988 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.997 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 69.0 tp -59.08 131.86 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.513 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.2 t -103.16 0.75 32.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.85 107.0 9.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.5 mt -99.55 24.4 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.278 0.561 . . . . 0.0 110.267 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.96 -30.78 28.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.175 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -130.3 -79.63 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.079 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.8 t90 69.31 124.48 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.865 0.84 . . . . 0.0 112.026 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.2 159.77 68.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.354 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.55 -32.32 63.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.5 66.48 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.087 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG11 HD11 ' A' ' 5' ' ' ILE . 88.8 t -60.89 -50.2 81.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.865 0.332 . . . . 0.0 110.446 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.63 -36.5 78.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.729 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.7 -52.41 64.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.53 -39.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 46.3 ttm -65.17 -54.24 32.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.213 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.92 69.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 27.2 ttmt -62.69 -36.55 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.142 177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.18 -37.12 78.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.107 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.97 -2.39 43.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.026 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.463 HD21 ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER 64.16 31.45 13.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 178.201 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -105.22 122.16 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -82.18 109.45 16.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.13 113.59 20.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.6 p -96.63 -173.49 2.76 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.26 -38.73 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 49' ' ' ILE . 57.1 mp0 -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -65.6 -49.42 68.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.99 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -56.68 -39.85 74.52 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.07 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.16 -45.74 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 45' ' ' GLU . 51.5 mm -65.15 -43.45 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.809 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.41 -52.06 65.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.232 0.539 . . . . 0.0 110.429 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -61.14 -39.52 90.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.713 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 34.6 t80 -60.79 -42.46 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.885 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 53' ' ' LEU . 27.4 mt -61.67 -36.9 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.307 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.77 -54.99 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.703 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -45.35 93.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.373 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.81 -44.83 90.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.927 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.86 -42.69 63.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.73 -22.53 61.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 111.042 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.89 -59.1 2.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.82 -8.04 55.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.934 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 60.69 37.21 19.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 111.612 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.7 tt -144.92 134.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.87 116.09 65.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.63 127.77 9.03 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.236 1.958 . . . . 0.0 113.359 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 111' ' ' CYS . . . -70.96 175.52 5.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.805 173.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.07 -44.97 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.91 0.386 . . . . 0.0 111.267 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -68.96 -19.78 64.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.344 -177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.0 t -94.52 -37.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.208 0.528 . . . . 0.0 110.613 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 73' ' ' VAL . 42.1 tp -61.93 -37.49 84.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.831 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 p -58.51 -36.84 74.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 111.391 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -73.85 -39.31 64.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.734 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.41 82.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.101 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 69' ' ' LEU . 95.5 t -62.85 -38.54 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.85 -17.74 73.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.88 -28.26 19.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.27 . . . . 0.0 110.839 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 62.1 tttm -96.57 -55.17 3.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.273 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.9 tp -76.68 -62.41 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.439 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.51 142.7 4.65 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.644 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -66.81 -26.77 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.968 0.414 . . . . 0.0 110.925 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -76.78 -27.24 55.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -102.28 -4.37 25.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.587 -175.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.83 69.3 3.08 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.078 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -61.76 -36.88 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.323 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -63.17 -36.38 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.601 -177.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.15 -37.49 87.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 43.3 mt -72.58 -33.06 66.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -71.92 -24.09 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.403 . . . . 0.0 110.4 174.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 m -76.51 -30.29 57.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.9 mt -77.06 -55.35 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.868 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' HB3' ' HG3' ' A' ' 98' ' ' GLN . 62.7 m-85 -122.21 106.45 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 -177.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.82 -22.27 23.81 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.834 2.356 . . . . 0.0 113.006 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -96.37 17.21 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 104.5 108.82 3.34 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.696 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.3 Cg_endo -49.41 -45.45 30.51 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.566 2.844 . . . . 0.0 113.333 -176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.286 0.366 . . . . 0.0 111.516 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -56.37 -43.48 79.22 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.572 ' HG3' ' HB3' ' A' ' 91' ' ' PHE . 23.5 mm-40 -65.42 -56.32 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 0.0 111.21 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.816 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.799 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -65.45 -37.32 86.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -52.62 -52.45 55.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.881 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -76.45 -25.03 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.4 -13.15 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.474 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.997 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 98.79 10.31 50.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.799 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.0 mt -96.71 131.98 27.04 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 120.665 0.269 . . . . 0.0 110.287 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.24 -171.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.565 2.177 . . . . 0.0 111.899 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -65.82 109.24 2.9 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.072 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -95.88 13.55 1.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.31 2.674 . . . . 0.0 112.812 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.8 p 48.74 51.56 15.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.375 0.607 . . . . 0.0 110.989 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -83.53 78.35 2.02 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.182 -174.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 64.5 m 72.24 -58.72 0.58 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.472 0.709 . . . . 0.0 111.81 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 110.405 179.403 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.89 -81.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.867 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -117.62 -173.79 2.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 1.9 p -133.58 121.89 22.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.869 0.366 . . . . 0.0 110.401 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 12' ' ' PHE . 30.5 pt -89.85 127.22 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.403 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -91.08 106.68 18.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.03 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.49 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 63.93 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.789 0.68 . . . . 0.0 111.273 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.38 22.98 2.86 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.127 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -121.13 142.56 49.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -110.18 107.14 16.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.951 0.405 . . . . 0.0 110.068 174.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.7 m-85 -93.78 116.5 28.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.69 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.41 107.99 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 35.2 m -115.25 168.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.671 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.0 179.66 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.46 -42.92 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -168.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -89.22 6.52 39.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.7 65.55 1.05 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.035 176.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -142.53 119.65 11.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 2.4 pt? -73.55 119.49 17.85 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.557 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.86 -18.95 61.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.859 -174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.04 91.79 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.89 85.5 6.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.339 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -158.01 -69.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.01 43.12 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.247 0.546 . . . . 0.0 111.388 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -66.51 118.11 9.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.45 160.87 40.04 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.6 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.87 -36.19 62.49 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.89 2.394 . . . . 0.0 112.673 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -35.43 66.98 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.728 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.41 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.005 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -58.78 -51.28 70.66 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.775 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 90.3 t -64.59 -40.36 88.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.429 ' HE3' ' HB2' ' A' ' 34' ' ' MET . 42.5 tpp -59.16 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 178.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 40' ' ' LEU . . . -66.72 -27.91 68.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.232 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.82 -26.39 63.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 33' ' ' VAL . 15.6 mm100 -75.15 -45.43 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.66 -14.51 56.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 0.0 110.533 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 67.55 70.82 0.35 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.997 0.903 . . . . 0.0 110.775 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 9.5 tt -152.54 107.55 3.23 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.242 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.56 119.23 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.989 -173.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.07 109.97 8.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.472 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.633 HG21 ' H ' ' A' ' 44' ' ' GLU . 1.3 m -101.39 -178.15 3.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.633 ' H ' HG21 ' A' ' 43' ' ' THR . 56.1 mt-10 -52.94 -42.93 65.9 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.685 0.279 . . . . 0.0 111.653 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 49' ' ' ILE . 8.4 mp0 -60.14 -46.08 90.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -65.26 -47.38 76.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.092 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -59.03 -39.32 81.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.402 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.93 -40.54 97.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.7 mm -71.3 -45.11 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG21 ' HB2' ' A' ' 103' ' ' ALA . 92.9 mt -62.9 -47.53 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.229 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -67.55 -32.56 73.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.22 -45.8 91.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.971 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.605 HD23 HD12 ' A' ' 69' ' ' LEU . 46.4 mt -63.99 -37.89 89.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -56.54 -55.99 26.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 58' ' ' GLU . 35.5 mt-10 -72.3 -24.39 61.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.348 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.11 -44.03 96.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.392 0.615 . . . . 0.0 109.36 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -73.56 -34.81 65.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.797 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 55' ' ' GLU . 11.2 tp10 -56.82 -47.86 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.588 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -84.21 -56.09 3.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -92.15 -13.43 30.68 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -169.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.441 ' N ' HE21 ' A' ' 61' ' ' GLN . 0.0 OUTLIER 59.77 28.72 18.23 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.1 tt -135.67 141.18 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.742 0.306 . . . . 0.0 110.553 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.39 116.36 65.89 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.863 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.75 132.9 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.351 2.034 . . . . 0.0 112.651 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.38 172.26 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.635 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.87 -47.28 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.305 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 67' ' ' ARG . 43.6 mtp-105 -59.74 -44.58 93.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.26 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.32 -41.74 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD12 HD23 ' A' ' 53' ' ' LEU . 58.1 tp -61.97 -39.06 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -57.08 -36.36 70.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.009 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -83.6 -42.97 16.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.746 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.75 88.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.48 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.705 HG11 HD22 ' A' ' 77' ' ' LEU . 1.1 t -65.98 -22.91 31.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.47 -48.15 66.25 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.065 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -65.99 -17.08 64.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.758 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -87.5 -35.14 18.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.921 0.391 . . . . 0.0 110.375 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.705 HD22 HG11 ' A' ' 73' ' ' VAL . 4.6 mm? -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.79 -127.14 7.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.028 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -121.72 -24.47 5.28 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.585 -0.362 . . . . 0.0 110.089 175.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.13 -62.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.112 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 77' ' ' LEU . 62.2 mttp -88.88 -171.49 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -174.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 86' ' ' TYR . . . 111.93 -122.88 6.16 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -168.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 66.23 170.02 0.23 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.324 0.583 . . . . 0.0 111.705 169.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 p -85.47 -44.95 12.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.747 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.47 -41.97 86.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.502 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.528 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 54.4 t80 -59.0 -44.82 91.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.82 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 50.2 mt -72.57 -30.74 64.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -71.62 -34.95 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.973 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -73.65 -18.89 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.426 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 56.4 mt -79.81 -54.21 6.06 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.653 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 67.4 m-85 -123.46 104.04 34.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.99 -42.39 30.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.321 2.681 . . . . 0.0 113.824 -173.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.68 -1.04 25.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.778 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.47 122.0 2.26 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.82 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 66.2 Cg_exo -50.82 -62.29 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.393 2.728 . . . . 0.0 112.892 -175.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.45 -36.88 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.122 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.26 -50.46 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.628 -173.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.653 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 15.6 mm100 -68.85 -41.26 78.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.791 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.9 88.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.3 p -69.22 -26.06 64.62 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.63 -40.09 92.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.263 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.86 -29.87 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.483 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 50' ' ' ILE . . . -79.2 -16.25 56.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.151 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 20' ' ' LEU . . . 85.26 8.69 81.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.786 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.728 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 93.4 mt -74.16 142.22 78.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.539 0.209 . . . . 0.0 110.616 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.46 134.5 61.59 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.342 2.028 . . . . 0.0 111.158 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -51.07 114.24 4.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 O-C-N 123.74 0.65 . . . . 0.0 111.81 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.69 33.71 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.269 2.646 . . . . 0.0 112.424 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.7 m -135.52 97.16 3.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.066 0.46 . . . . 0.0 110.418 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.09 -120.47 3.25 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.87 136.6 30.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.7 0.286 . . . . 0.0 110.336 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.05 -178.783 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 p -113.73 133.42 55.36 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.422 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.455 HD11 HG13 ' A' ' 30' ' ' VAL . 35.4 pt -89.72 163.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.475 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -106.4 110.31 22.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.022 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.4 112.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.06 22.8 13.04 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.383 0.427 . . . . 0.0 111.165 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.74 85.39 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.897 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.83 141.59 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -94.91 107.54 19.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -99.19 132.2 44.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.1 118.03 21.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.293 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 20' ' ' LEU . 25.2 m -124.62 151.77 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.717 176.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.48 150.86 48.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.92 -17.08 64.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.9 -11.34 59.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.3 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 96.47 39.31 4.23 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.162 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 79.8 m-85 -129.23 120.43 25.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.531 ' HA ' HG12 ' A' ' 14' ' ' VAL . 54.2 tp -57.4 120.1 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.993 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -93.78 -33.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 110.202 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -79.52 82.17 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.608 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -85.76 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.727 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.23 7.9 40.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.356 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -159.37 -86.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.853 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.7 t90 67.53 109.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.417 0.687 . . . . 0.0 111.399 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.43 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.9 m -116.13 163.35 21.84 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.669 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 52.3 Cg_exo -53.65 -34.35 73.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.726 2.284 . . . . 0.0 112.574 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -59.6 -34.64 82.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.348 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 5' ' ' ILE . 91.1 t -59.57 -51.67 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.035 0.445 . . . . 0.0 110.339 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.79 -46.51 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 29' ' ' GLY . 81.5 t -64.12 -36.57 77.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.918 0.39 . . . . 0.0 110.926 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.466 ' HE3' ' HA ' ' A' ' 102' ' ' PHE . 69.4 mtm -71.37 -31.65 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.829 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -72.22 -39.27 68.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.47 -37.83 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.074 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.16 -14.37 61.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.61 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.34 -10.71 16.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.121 0.486 . . . . 0.0 109.96 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.44 33.95 8.43 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.934 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 8.0 tt -108.63 123.91 49.68 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.75 0.31 . . . . 0.0 110.359 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -105.24 106.44 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.515 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -92.04 -175.55 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.8 -26.41 68.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -66.15 -48.27 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.918 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 50' ' ' ILE . 75.1 m80 -63.41 -48.71 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.524 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.25 -32.44 72.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.901 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.3 -43.36 86.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -69.36 -43.31 81.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.109 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 46' ' ' HIS . 86.9 mt -59.98 -48.6 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.567 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.07 -35.02 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.85 -52.67 64.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 69' ' ' LEU . 68.8 mt -62.19 -39.95 94.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.727 0.299 . . . . 0.0 111.095 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 tpt85 -57.52 -50.62 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.456 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.24 -47.91 66.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.885 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.5 -48.86 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.982 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -66.86 -35.4 79.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 110.673 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.22 -37.68 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.672 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.3 -41.27 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -94.0 -20.58 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 66.67 18.38 10.72 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.502 0.501 . . . . 0.0 110.72 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -116.87 134.08 61.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.191 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.56 111.48 61.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.32 118.59 5.7 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.744 2.296 . . . . 0.0 112.718 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.03 177.03 4.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.941 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.66 -34.79 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.708 0.29 . . . . 0.0 111.485 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 67' ' ' ARG . 12.8 mmt180 -68.79 -30.92 69.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -86.94 -46.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.745 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 53' ' ' LEU . 50.8 tp -53.55 -48.81 68.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -56.93 -34.92 68.47 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.713 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.49 -49.53 18.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.375 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.78 80.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.776 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.84 -31.74 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' H ' ' A' ' 82' ' ' GLY . . . -59.48 -41.76 97.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.414 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -83.83 -37.37 22.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.421 . . . . 0.0 111.008 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -69.28 -57.33 5.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.551 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -68.87 -43.14 75.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.609 -171.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -159.34 -135.43 1.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.302 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -91.39 -54.16 4.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 0.0 110.667 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.08 35.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.35 0.595 . . . . 0.0 109.559 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -70.68 -14.9 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.305 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.405 ' H ' ' HA2' ' A' ' 74' ' ' GLY . . . -76.54 80.38 1.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.208 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -113.58 146.56 39.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.594 0.235 . . . . 0.0 110.49 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.419 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 8.1 m -57.68 -47.77 81.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.136 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.23 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -61.52 -43.97 97.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.769 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.75 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.0 mm? -64.92 -39.31 93.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.248 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 84' ' ' SER . 35.6 m-85 -72.77 -21.61 60.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 111.471 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 m -81.57 -22.09 38.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.045 0.45 . . . . 0.0 110.351 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.05 -47.07 8.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.56 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.3 m-85 -121.57 92.55 48.71 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.193 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.03 -4.96 16.14 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 123.146 2.564 . . . . 0.0 113.026 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -97.32 -15.29 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 138.68 102.39 0.56 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.75 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 1.3 Cg_endo -41.55 -70.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 124.371 3.381 . . . . 0.0 114.809 -170.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.23 90.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.44 -39.17 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.207 0.527 . . . . 0.0 110.844 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -74.82 -38.59 62.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.98 70.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 21.9 p -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.741 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 16.0 ttt180 -53.07 -49.33 66.61 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.29 0.369 . . . . 0.0 110.983 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.466 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 22.8 m-85 -76.61 -29.38 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 111.305 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.44 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.35 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 84.73 21.33 56.25 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.256 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 66.1 mt -95.86 148.9 35.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.65 167.28 24.74 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.443 2.096 . . . . 0.0 111.744 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.8 ttmt -59.23 112.66 5.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 61.1 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.258 2.638 . . . . 0.0 112.998 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -125.79 117.51 23.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.888 0.375 . . . . 0.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' ' 12' ' ' PHE . 31.3 pt -94.18 127.97 45.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.075 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.62 99.34 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.548 . . . . 0.0 109.798 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 60.2 t -122.29 124.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.771 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.49 7.65 6.34 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.357 0.599 . . . . 0.0 110.907 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.95 -3.82 58.8 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 5.0 ttmp? -106.06 132.77 51.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 0.0 110.531 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -80.96 107.94 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 5' ' ' ILE . 87.3 m-85 -91.6 110.66 21.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.749 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.05 121.32 20.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.469 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 20' ' ' LEU . 32.6 m -121.78 144.63 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.833 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.83 165.41 15.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.48 -27.59 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.76 -6.3 48.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.03 39.27 8.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.621 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -126.07 142.93 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.604 0.24 . . . . 0.0 110.612 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.528 ' HA ' HG12 ' A' ' 14' ' ' VAL . 56.0 tp -67.83 114.53 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.156 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -81.29 -23.03 38.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.05 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -105.1 97.26 7.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.532 HD21 ' O ' ' A' ' 104' ' ' GLY . 79.2 mt -97.51 35.87 1.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.193 0.52 . . . . 0.0 110.737 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -71.35 -40.89 70.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.888 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 28.8 t70 -138.5 -64.32 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -174.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.431 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 88.0 t90 71.91 124.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 111.152 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 27.6 m -120.36 157.77 52.79 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.926 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 11.8 Cg_endo -56.18 -31.2 82.79 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.992 2.462 . . . . 0.0 112.468 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.47 -30.49 71.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.692 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 5' ' ' ILE . 92.4 t -62.87 -46.86 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.964 0.411 . . . . 0.0 109.922 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.13 95.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.931 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.03 -36.54 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.226 0.536 . . . . 0.0 110.953 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.454 ' HE3' ' HA ' ' A' ' 102' ' ' PHE . 20.7 ttp -76.9 -20.3 56.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.265 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.38 52.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.004 0.431 . . . . 0.0 110.263 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -63.05 -24.58 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.151 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.93 -32.58 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.18 6.39 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 61.29 23.64 13.84 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.513 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -92.16 111.1 22.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.071 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -74.15 114.62 12.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.905 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 110.15 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.481 . . . . 0.0 110.794 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -91.66 179.39 5.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.135 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.36 -31.91 72.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.461 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.07 -42.45 84.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.949 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -63.88 -49.62 71.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.626 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -61.1 -29.77 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.393 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.88 -41.24 83.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.7 mm -67.62 -43.32 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.4 -44.84 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.274 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.18 -45.74 75.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.13 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 77.8 t80 -57.53 -57.62 11.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.021 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 105' ' ' LEU . 33.9 mt -64.4 -31.88 73.27 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -60.93 2.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -15.67 48.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.552 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -66.56 -44.32 82.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 87.3 t80 -74.94 -33.72 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.06 -48.71 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.729 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -80.63 -46.7 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.747 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -92.07 -26.17 18.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -174.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 86.7 mm-40 64.83 26.68 12.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.357 0.599 . . . . 0.0 110.826 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.5 133.9 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.546 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.41 111.01 64.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.45 140.37 21.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.306 2.004 . . . . 0.0 113.317 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.14 175.38 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.297 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 7.8 p -67.11 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.003 -173.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -71.75 -35.11 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 109.938 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.55 -43.96 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.841 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.598 HD13 HD21 ' A' ' 53' ' ' LEU . 57.3 tp -57.95 -46.78 84.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.6 m -59.29 -42.05 90.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -69.69 -27.46 65.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.482 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.37 -34.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.8 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' LEU . 96.0 t -64.24 -35.76 74.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 14.54 4.76 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.303 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -124.5 -13.93 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.023 0.44 . . . . 0.0 110.236 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 57.9 tttm -102.46 -38.84 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.462 ' HB3' ' HD3' ' A' ' 81' ' ' LYS . 3.8 mm? -90.59 39.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.423 0.63 . . . . 0.0 110.662 -171.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.38 -89.16 0.72 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.842 ' HE2' ' HA ' ' A' ' 79' ' ' LYS . 6.1 mmpt? -141.08 -82.8 0.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 171.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.32 92.53 4.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.734 0.778 . . . . 0.0 111.826 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' HB3' ' A' ' 77' ' ' LEU . 84.3 tttt -128.37 -53.38 1.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.469 173.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.666 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -94.39 54.21 2.08 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.053 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -82.43 -36.02 27.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.2 t -159.64 -67.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.923 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -52.73 -49.19 65.91 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.535 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.666 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 28.5 t80 -48.67 -50.97 30.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.724 0.64 . . . . 0.0 112.157 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.56 -46.09 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.544 0.202 . . . . 0.0 111.544 -175.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -69.88 -13.51 62.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.302 . . . . 0.0 111.501 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.6 m -88.9 -40.41 13.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.544 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.1 mt -68.65 -43.18 76.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 110.372 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.511 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 21.3 m-85 -129.32 101.84 18.95 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.587 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.66 -51.29 6.32 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.112 2.542 . . . . 0.0 113.526 -174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.27 -56.27 4.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.88 109.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.312 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.511 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.2 Cg_exo -51.83 -51.87 10.23 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.217 2.611 . . . . 0.0 112.421 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 66' ' ' VAL . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.498 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.95 -47.29 85.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.383 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.27 -44.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.64 90.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.233 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.688 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.4 p -66.26 -42.8 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.352 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.6 -50.93 64.58 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-O 120.703 0.287 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.454 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 22.7 m-85 -65.51 -34.09 77.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.25 -175.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.46 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . . . -79.31 -6.18 56.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 88.24 0.47 82.7 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.249 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.688 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 20.1 mt -71.76 140.06 83.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.631 0.253 . . . . 0.0 110.792 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.9 147.43 95.49 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.316 2.011 . . . . 0.0 111.035 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 50.3 pttt -53.19 116.09 8.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 O-C-N 123.461 0.476 . . . . 0.0 111.118 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 3.4 Cg_exo . . . . . 0 N--CA 1.462 -0.378 0 C-N-CA 123.3 2.666 . . . . 0.0 112.196 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.7 t0 . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.67 0.272 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 21.8 p -116.48 125.31 51.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.916 0.389 . . . . 0.0 111.061 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 19.9 pt -89.55 130.54 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.49 177.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -84.06 106.69 15.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.19 103.97 15.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.794 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.18 27.19 16.99 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.073 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.93 -21.9 19.73 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.489 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -109.6 140.8 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.18 0.49 . . . . 0.0 111.369 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.526 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 53.4 mt-30 -99.57 115.66 29.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.759 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.01 130.38 50.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.562 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.03 120.18 23.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.903 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 20' ' ' LEU . 27.1 m -125.86 160.53 32.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.176 176.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.557 ' OD2' ' HB2' ' A' ' 19' ' ' TYR . 18.0 p30 -83.39 173.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.866 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.9 pm0 -77.19 12.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -108.03 -25.21 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 6.71 9.46 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.825 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.557 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 38.4 m-85 -87.7 129.37 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.199 0.499 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 14' ' ' VAL . 51.8 tp -66.53 117.2 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.531 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -91.76 -25.29 19.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.234 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -81.57 75.76 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.28 94.5 8.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -154.98 -49.33 0.09 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.149 -174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -73.42 0.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.862 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.3 t90 66.41 118.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.621 0.724 . . . . 0.0 111.513 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.44 158.23 73.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.36 -34.28 59.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.819 2.346 . . . . 0.0 112.559 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.65 -32.41 61.48 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.664 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.22 -48.72 82.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.621 0.248 . . . . 0.0 110.377 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.28 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 17.1 t70 -62.62 -55.18 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.543 178.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.23 -39.57 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.893 0.377 . . . . 0.0 111.323 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 48.5 ttm -61.32 -49.9 75.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.578 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -68.34 -29.64 68.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.405 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 43.0 tttp -61.8 -45.97 91.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.694 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -78.35 -22.79 47.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.476 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.0 -11.98 54.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.3 t30 65.59 40.31 4.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.526 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 48.6 tp -115.9 103.32 10.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.273 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.85 131.22 44.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.252 0.548 . . . . 0.0 111.13 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.94 109.72 21.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -87.52 -176.18 5.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.058 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.18 -47.01 65.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.429 0.633 . . . . 0.0 110.51 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' ILE . 38.6 mt-10 -69.75 -37.52 76.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.035 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -60.93 -48.06 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.359 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -61.97 -35.76 79.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.397 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.37 -39.03 74.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.536 0.208 . . . . 0.0 111.098 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.8 mm -64.02 -44.81 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.302 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.33 -43.1 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.217 0.532 . . . . 0.0 109.81 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.08 -39.1 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.298 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.63 -47.45 85.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.561 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.14 -36.21 79.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.651 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -54.38 -50.39 67.64 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.663 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.02 -46.18 71.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.5 -46.79 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -67.39 -41.43 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.311 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.03 -33.95 76.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.983 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 -57.98 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.404 ' O ' HG13 ' A' ' 62' ' ' ILE . 79.5 m-85 -87.14 -21.38 26.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 64.66 22.89 12.7 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.649 0.38 . . . . 0.0 111.474 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 60' ' ' TYR . 66.8 mt -123.75 146.23 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.094 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.52 113.03 64.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.12 136.1 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.427 2.084 . . . . 0.0 112.618 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.71 170.08 14.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -32.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.927 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -68.28 -41.54 80.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.72 -39.02 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.277 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.9 tp -60.62 -55.11 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.794 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -57.9 -34.96 70.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.024 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.99 -45.4 89.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.672 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.84 -31.93 63.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.56 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.784 HG13 HD23 ' A' ' 77' ' ' LEU . 53.2 t -54.9 -39.24 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.049 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.0 -15.85 63.32 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.047 -0.597 . . . . 0.0 113.085 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.58 -14.03 16.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -102.55 -50.31 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -173.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.784 HD23 HG13 ' A' ' 73' ' ' VAL . 4.1 mm? -84.82 28.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.746 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.11 -125.06 6.3 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.172 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -146.11 -34.8 0.29 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.77 9.64 36.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.622 0.725 . . . . 0.0 109.911 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -125.45 102.82 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.504 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.89 73.77 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.55 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -139.17 176.73 8.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.749 0.309 . . . . 0.0 110.634 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -72.76 -35.47 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.692 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.47 ' HD3' ' O ' ' A' ' 85' ' ' LYS . 1.7 tmtp? -58.85 -47.85 83.42 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -56.85 -47.71 79.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.783 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 37.4 mt -71.85 -29.01 63.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.804 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.3 -20.99 56.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.796 0.332 . . . . 0.0 111.19 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -74.88 -32.32 61.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.11 -53.62 8.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.525 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 48.4 m-85 -126.83 99.31 29.48 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.086 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.18 -18.38 50.84 Favored 'Trans proline' 0 N--CA 1.472 0.212 0 C-N-CA 123.216 2.611 . . . . 0.0 112.977 -175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -92.7 2.08 56.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 116.78 118.08 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.435 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.783 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.7 Cg_endo -50.89 -54.63 5.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 123.365 2.71 . . . . 0.0 112.999 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.15 -52.72 64.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.825 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -70.13 -44.53 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.342 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.81 92.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.4 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.751 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 16.2 p -66.3 -32.67 74.21 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 101' ' ' ARG . 7.6 ttm180 -55.33 -51.54 66.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.485 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -66.17 -30.75 71.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.298 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . . . -86.92 -3.88 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.349 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 74.4 22.59 77.26 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.834 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.751 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 44.3 mt -87.73 139.23 31.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 O-C-N 122.74 -0.27 . . . . 0.0 110.605 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.0 141.52 86.37 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.749 2.299 . . . . 0.0 111.667 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -47.87 112.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.889 0.743 . . . . 0.0 111.996 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.904 2.403 . . . . 0.0 111.871 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 N--CA 1.458 -0.073 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 1.6 p -142.54 125.08 15.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.922 0.391 . . . . 0.0 111.434 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.5 132.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.44 110.34 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.406 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.07 113.45 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.333 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 70.36 -70.88 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.934 0.771 . . . . 0.0 111.042 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.25 19.66 0.2 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.5 138.18 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.293 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 91.7 mt-30 -92.9 108.68 20.19 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.73 117.21 29.19 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.1 131.0 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.82 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.66 144.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.2 162.55 16.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.42 -24.56 45.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -98.25 7.92 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.21 49.86 5.08 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.552 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.711 ' HB3' ' HA ' ' A' ' 106' ' ' PRO . 91.5 m-85 -135.41 141.74 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.25 113.98 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 p -93.89 -22.31 18.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.086 0.47 . . . . 0.0 110.379 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -81.34 83.55 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.185 0.517 . . . . 0.0 110.489 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.33 74.58 10.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.144 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -111.68 -59.49 1.98 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.45 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -137.41 -50.49 0.62 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.655 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.2 t90 68.56 120.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.733 0.645 . . . . 0.0 111.035 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.13 150.39 42.39 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.661 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.66 -30.31 55.09 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 113.118 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.42 -26.95 62.58 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.657 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.53 -39.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.173 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.39 86.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.184 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.17 -54.71 42.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.532 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.3 p -66.08 -30.58 50.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.544 ' HG2' ' HG2' ' A' ' 101' ' ' ARG . 32.4 tpp -68.1 -50.84 52.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.37 -45.3 93.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.499 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 53.0 mt-30 -68.47 -38.56 81.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.49 -3.34 52.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.624 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 t30 60.33 56.66 3.13 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.75 0.786 . . . . 0.0 110.287 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -140.6 151.48 44.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.585 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -98.66 161.49 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -123.5 108.25 12.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.105 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -89.86 -174.89 4.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -56.08 -38.99 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.117 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.531 ' O ' HG12 ' A' ' 49' ' ' ILE . 45.6 mt-10 -75.6 -38.16 59.24 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.757 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.665 ' CD2' ' HG ' ' A' ' 90' ' ' LEU . 33.4 m80 -60.37 -50.9 71.75 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.556 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -60.36 -32.95 71.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.309 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.95 -49.09 73.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 45' ' ' GLU . 45.9 mm -61.52 -42.13 92.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.825 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' HIS . 91.0 mt -56.27 -52.09 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -67.0 -34.85 78.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.58 -44.29 96.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 69' ' ' LEU . 17.8 mt -64.44 -37.61 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.336 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 54' ' ' ARG . 22.1 ttt180 -60.53 -49.03 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.14 -40.22 96.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.12 -44.83 96.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.911 0.386 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -72.65 -40.63 66.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.801 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.28 -28.44 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.96 -56.59 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -96.11 -10.42 28.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.929 -170.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 62.46 27.74 16.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.712 0.405 . . . . 0.0 111.795 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tt -135.0 142.86 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.787 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.32 116.52 66.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.36 145.02 14.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.357 2.038 . . . . 0.0 113.123 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.0 176.84 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.405 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.88 -49.52 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.822 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -72.46 -33.36 66.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.91 -45.71 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.128 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.2 tp -60.49 -39.79 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.512 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 83' ' ' ASN . 58.0 m -50.86 -50.82 56.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.571 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.02 -30.46 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.032 0.444 . . . . 0.0 111.043 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.32 -36.35 66.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 69' ' ' LEU . 74.8 t -64.3 -39.35 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.611 178.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.93 -44.75 82.42 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.074 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -79.43 -11.15 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.578 -0.366 . . . . 0.0 111.19 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -73.95 -48.58 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.91 -43.93 70.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.226 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.21 -29.31 9.78 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.509 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -111.99 -169.37 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.07 87.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -151.3 87.31 1.38 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.914 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.613 ' HA2' ' HD2' ' A' ' 86' ' ' TYR . . . 139.41 81.85 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.027 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.432 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 27.4 t-20 -148.73 102.08 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t 55.34 -88.57 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -57.19 -29.42 63.67 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.953 0.501 . . . . 0.0 112.071 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.613 ' HD2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -58.72 -43.47 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 70.5 mt -80.28 -31.44 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.005 -176.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -69.53 -33.41 72.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.214 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.665 ' HG ' ' CD2' ' A' ' 46' ' ' HIS . 11.7 tp -67.25 -47.41 70.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 93.7 m-85 -118.08 99.02 51.89 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.435 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.53 -14.1 38.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.021 2.48 . . . . 0.0 112.704 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.421 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 41.4 m-85 -103.76 10.05 36.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.046 0.451 . . . . 0.0 110.545 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.96 111.64 2.54 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.831 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.743 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 86.6 Cg_exo -47.4 -66.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.582 2.855 . . . . 0.0 113.409 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.78 -40.62 83.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.759 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -61.46 -46.23 90.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 111.631 -173.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.421 ' HG3' ' HB2' ' A' ' 93' ' ' TYR . 11.6 mm100 -76.81 -42.13 41.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.16 90.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.337 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.748 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 19.7 p -69.55 -37.05 76.87 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.142 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.544 ' HG2' ' HG2' ' A' ' 34' ' ' MET . 26.7 ttm180 -57.75 -43.71 85.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -73.3 -30.46 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.54 -15.42 59.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.459 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.73 12.29 38.08 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.748 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 96.0 mt -93.56 152.39 40.85 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.596 0.236 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.711 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 70.2 Cg_endo -75.08 -166.83 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.076 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.0 tttm -81.24 112.94 37.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.363 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 2.9 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 C-N-CA 122.831 2.354 . . . . 0.0 112.082 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.0 t70 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -132.15 126.15 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 pt -89.35 144.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.092 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -115.05 119.56 36.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.822 0.344 . . . . 0.0 110.427 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.72 84.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.52 72.62 0.47 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.808 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.76 -36.78 2.65 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.488 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -90.28 120.42 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.86 0.362 . . . . 0.0 110.197 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.9 143.9 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 111.618 -173.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' HE2' ' HB3' ' A' ' 25' ' ' ASP . 93.3 m-85 -128.0 140.45 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -86.67 128.64 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.897 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 3' ' ' ASP . 33.7 m -109.58 168.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 111.798 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.442 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 11.1 t70 -98.71 179.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.856 176.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.64 -18.56 60.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.608 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 32.7 mt-10 -78.99 -6.81 57.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.609 175.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.17 45.92 5.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.119 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.608 ' CD1' ' HB2' ' A' ' 17' ' ' GLU . 40.7 p90 -137.65 158.55 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.585 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 61.4 tp -67.46 125.37 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.124 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 30.3 t -97.53 -15.84 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -126.11 110.2 13.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.713 0.292 . . . . 0.0 111.558 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.51 HD11 HD23 ' A' ' 105' ' ' LEU . 78.6 mt -84.22 76.51 10.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.459 0.647 . . . . 0.0 109.962 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -109.02 7.89 26.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.122 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.549 ' HB3' ' HE2' ' A' ' 12' ' ' PHE . 35.7 t70 179.91 -79.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.325 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.567 ' HE3' HH11 ' A' ' 54' ' ' ARG . 73.6 t90 60.22 104.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.726 0.81 . . . . 0.0 111.891 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.6 m -108.48 162.96 18.07 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.616 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 73.2 Cg_exo -49.97 -38.88 49.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.769 2.313 . . . . 0.0 112.633 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.03 -32.46 66.83 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.898 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.55 -46.9 94.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.56 91.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.716 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.48 -50.67 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.113 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 82.8 t -56.99 -48.25 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.74 0.305 . . . . 0.0 110.512 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.443 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 42.1 ttm -60.62 -49.43 77.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.63 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.164 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 36' ' ' LYS . 3.5 ttmp? -74.26 -26.0 59.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 26.0 mt-30 -64.4 -41.64 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.144 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.887 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.35 61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.937 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 tp -116.71 129.08 55.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -75.13 130.29 38.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.143 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.86 100.51 11.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.578 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -88.18 177.07 6.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 175.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.497 ' H ' HG22 ' A' ' 43' ' ' THR . 10.3 pt-20 -57.77 -34.57 69.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' O ' HG12 ' A' ' 49' ' ' ILE . 41.6 mt-10 -76.23 -30.92 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.289 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -63.53 -49.35 73.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -57.25 -40.93 78.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.935 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.81 -41.79 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.0 mm -62.86 -49.13 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.435 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 103' ' ' ALA . 77.9 mt -59.76 -45.67 94.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 110.367 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.3 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.008 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 83.7 t80 -59.19 -37.92 78.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.878 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.564 ' HB3' HD11 ' A' ' 105' ' ' LEU . 30.1 mt -62.28 -44.81 95.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.567 HH11 ' HE3' ' A' ' 26' ' ' TRP . 5.7 ptm180 -72.46 -22.03 61.14 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.532 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.09 -38.7 51.83 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.022 0.439 . . . . 0.0 110.408 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -66.15 -40.29 90.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -70.19 -36.58 74.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.275 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 7.0 tp10 -59.79 -36.01 75.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.282 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.37 -55.66 3.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.54 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -100.04 -12.07 20.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 61.92 23.86 14.11 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.33 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -114.83 134.93 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.118 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 108.63 59.66 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 128.27 17.5 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.258 1.972 . . . . 0.0 111.98 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.35 178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.34 -52.04 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 110.803 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.88 -38.52 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 110.062 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD13 HD21 ' A' ' 53' ' ' LEU . 54.8 tp -63.99 -30.72 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -56.53 -39.47 73.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.469 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -67.19 -45.74 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -63.34 -44.67 94.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.133 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG11 HD21 ' A' ' 87' ' ' LEU . 96.6 t -65.98 -42.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 80' ' ' GLU . . . -58.55 -37.44 88.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.395 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.24 -40.94 50.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -70.82 -39.8 72.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.021 -174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.443 HD13 HG13 ' A' ' 73' ' ' VAL . 11.0 mp -86.37 -47.51 9.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.187 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.91 146.48 16.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 54.5 40.68 31.99 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.738 0.415 . . . . 0.0 110.798 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 29.9 tt0 68.8 -85.9 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.694 0.622 . . . . 0.0 109.643 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 tptm 66.14 -61.69 0.28 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 111.451 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.94 64.35 3.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.304 -0.474 . . . . 0.0 111.954 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -66.81 162.54 21.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.831 0.453 . . . . 0.0 110.539 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 88' ' ' TYR . 18.0 m -53.07 -41.64 65.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.931 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -73.81 -34.29 64.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 31.6 t80 -67.27 -42.65 83.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.111 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 57.9 mt -75.33 -26.3 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 84' ' ' SER . 6.1 t80 -79.92 -23.03 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.62 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 p -83.63 -24.82 31.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 87' ' ' LEU . 86.4 mt -66.62 -55.17 16.55 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.0 m-85 -131.83 101.37 15.45 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.897 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 91' ' ' PHE . 3.2 Cg_exo -76.75 5.96 4.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.524 2.816 . . . . 0.0 114.048 -172.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.9 16.14 15.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.275 0.56 . . . . 0.0 110.538 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.83 95.45 1.97 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.592 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 66.7 Cg_exo -37.55 -62.01 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 124.357 3.371 . . . . 0.0 114.399 -173.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.748 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.503 ' HA ' ' SG ' ' A' ' 100' ' ' CYS . 13.5 tmtt? -71.32 -31.04 66.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.124 0.487 . . . . 0.0 110.857 -173.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.566 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 51.2 tp60 -78.52 -39.08 39.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.443 0.639 . . . . 0.0 109.734 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.29 -39.67 71.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.023 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.765 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.0 p -68.24 -30.81 69.95 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 11.9 ttt180 -53.02 -52.97 56.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.181 171.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.443 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -71.41 -29.59 65.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.388 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -78.1 -13.41 59.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.712 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.585 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 80.4 24.25 59.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.703 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.765 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 57.4 mt -81.62 141.01 47.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.84 134.66 55.5 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.587 2.191 . . . . 0.0 111.491 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -51.22 108.19 0.99 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 123.932 0.77 . . . . 0.0 111.345 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo . . . . . 0 N--CA 1.455 -0.779 0 C-N-CA 123.012 2.475 . . . . 0.0 112.073 -177.938 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 N--CA 1.437 -1.102 0 CA-C-O 121.338 0.589 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 13' ' ' ALA . 20.7 p -123.44 151.99 42.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.562 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' ' 12' ' ' PHE . 39.8 pt -111.71 133.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -95.98 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.02 0.438 . . . . 0.0 110.087 -177.548 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.447 HG22 HG21 ' A' ' 33' ' ' VAL . 45.5 t -129.47 122.67 56.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.381 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 69.98 8.15 6.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.089 0.556 . . . . 0.0 111.537 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.66 9.03 59.08 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.49 -174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 52.3 mttt -103.77 152.83 21.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -106.08 107.72 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.831 0.348 . . . . 0.0 110.135 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 5' ' ' ILE . 93.9 m-85 -95.32 108.15 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.46 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -73.8 128.86 36.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.88 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.66 155.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.96 159.79 32.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.699 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.75 -21.84 66.13 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.592 0.234 . . . . 0.0 111.598 -176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.08 3.23 46.97 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.57 ' HA3' HH12 ' A' ' 101' ' ' ARG . . . 82.49 39.24 11.08 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.999 -0.619 . . . . 0.0 113.266 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -112.2 136.26 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.782 -0.246 . . . . 0.0 110.397 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 22' ' ' ASN . 62.5 tp -62.59 120.04 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 t -98.76 8.77 44.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.422 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 49.6 t-20 -118.32 92.57 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.0 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -96.64 19.75 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.32 -25.76 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.24 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 31.1 t70 -152.67 -67.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.443 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 80.6 t90 69.92 123.08 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.544 0.688 . . . . 0.0 111.036 -173.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.34 157.26 47.67 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.553 175.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.82 -29.87 54.71 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.588 2.192 . . . . 0.0 112.14 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.21 65.33 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.753 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.16 -42.5 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.24 85.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.268 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 21.4 t70 -61.56 -51.84 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.81 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.447 HG21 HG22 ' A' ' 7' ' ' VAL . 85.3 t -65.1 -35.16 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.5 tpp -65.5 -45.52 83.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.054 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.44 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.723 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 68.3 mttm -62.95 -29.22 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -71.53 -35.22 70.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -89.74 -10.95 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.123 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 62.16 26.22 15.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.473 0.654 . . . . 0.0 110.404 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -107.98 108.61 19.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.68 134.1 46.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.077 0.465 . . . . 0.0 110.4 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.95 109.65 20.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -80.57 176.46 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.43 -34.27 70.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -75.15 -35.47 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.602 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -65.07 -48.68 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.281 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -60.72 -31.29 70.59 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.891 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.28 -42.81 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.08 -41.8 84.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.494 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 103' ' ' ALA . 86.5 mt -58.67 -44.76 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.647 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 4.9 t30 -58.89 -45.86 89.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.01 176.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.06 -46.14 82.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 69' ' ' LEU . 16.7 mt -64.55 -35.42 80.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 111.191 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 7.9 mmm180 -68.35 -42.22 79.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.852 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.8 mt-10 -59.81 -43.55 94.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 109.91 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 14.6 t80 -65.59 -46.07 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.968 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -71.86 -39.33 69.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.589 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 1.8 tp10 -66.45 -24.05 66.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.947 0.403 . . . . 0.0 110.368 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.63 -60.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.261 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.45 -18.89 23.48 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 62.58 22.78 13.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.225 0.536 . . . . 0.0 110.78 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.97 135.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -91.52 115.43 64.47 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.217 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 12.8 Cg_exo -69.23 137.21 36.43 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.973 2.448 . . . . 0.0 112.662 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.66 170.84 15.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.22 -34.48 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.732 0.301 . . . . 0.0 111.455 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -72.98 -22.29 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.456 . . . . 0.0 110.929 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.78 -46.79 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 73' ' ' VAL . 57.7 tp -56.38 -56.39 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.199 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -53.95 -42.88 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.541 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.08 -29.77 58.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.05 -32.73 65.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.318 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 69' ' ' LEU . 93.7 t -58.28 -30.51 40.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.179 0.514 . . . . 0.0 110.473 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.584 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.5 -14.53 57.63 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -101.45 -15.04 17.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.318 0.559 . . . . 0.0 111.668 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -117.87 -30.6 5.35 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.761 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.578 ' HG ' ' HD2' ' A' ' 81' ' ' LYS . 61.8 tp -118.56 -28.12 5.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -173.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.584 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 170.07 124.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.42 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.19 -36.8 85.31 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.651 0.38 . . . . 0.0 111.665 -174.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 12.9 mp0 -107.7 5.49 26.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.345 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.578 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 41.1 ttmt -88.58 -72.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.736 -171.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.42 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -86.85 46.76 3.61 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.925 -172.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 80' ' ' GLU . 91.8 m-20 -89.32 -24.21 22.07 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -165.41 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.385 . . . . 0.0 112.001 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -53.48 -37.95 63.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.372 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.481 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 75.0 t80 -52.3 -55.88 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.704 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.479 HD11 HG21 ' A' ' 73' ' ' VAL . 52.0 mt -76.61 -31.19 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.68 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -73.4 -23.23 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 0.0 110.754 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -84.55 -28.84 26.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 57.2 mt -70.42 -48.1 57.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 176.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -127.61 96.28 33.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.347 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.11 -10.54 29.36 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.319 2.68 . . . . 0.0 112.983 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -101.65 7.58 42.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.264 0.554 . . . . 0.0 110.196 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.456 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 110.97 117.7 3.77 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.484 -177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 8.9 Cg_endo -50.87 -57.13 2.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.412 2.741 . . . . 0.0 112.72 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.86 74.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.587 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.55 -58.14 4.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.47 -37.02 74.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.81 86.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.397 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.791 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.1 p -68.42 -32.59 72.73 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.478 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.57 HH12 ' HA3' ' A' ' 18' ' ' GLY . 42.5 ttt85 -56.31 -41.21 75.6 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -84.03 -36.54 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.987 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -74.25 -4.42 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.903 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.73 58.74 6.1 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.951 -0.643 . . . . 0.0 111.926 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.5 mt -124.69 154.78 70.3 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.97 149.75 89.86 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.232 1.955 . . . . 0.0 111.254 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.11 108.47 1.63 Allowed Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 123.58 0.55 . . . . 0.0 111.388 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 C-N-CA 123.268 2.645 . . . . 0.0 112.543 -179.207 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 13' ' ' ALA . 37.2 p -133.67 140.46 47.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.684 0.278 . . . . 0.0 110.803 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.8 pt -91.41 126.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.4 102.34 14.06 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.423 HG22 HG21 ' A' ' 33' ' ' VAL . 24.7 t -91.43 87.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 t70 69.0 -69.67 0.15 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.821 0.701 . . . . 0.0 111.358 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.59 16.01 2.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.725 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.35 105.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 65.1 mt-30 -92.8 106.68 18.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.002 0.43 . . . . 0.0 110.728 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -95.25 130.96 41.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.415 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -64.42 131.83 48.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.72 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.64 152.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.357 0.599 . . . . 0.0 111.624 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.2 158.82 34.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.416 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.01 -17.05 62.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.806 0.336 . . . . 0.0 111.043 -174.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.97 -14.03 56.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.738 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.75 53.7 1.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.764 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -137.78 137.25 38.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.1 108.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.94 0.4 . . . . 0.0 111.264 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -109.41 72.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.62 0.724 . . . . 0.0 109.316 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -167.94 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.273 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt 55.69 -118.03 1.2 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 65.06 -74.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.844 0.715 . . . . 0.0 111.991 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.61 -63.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.431 ' CE3' ' HD2' ' A' ' 54' ' ' ARG . 88.7 t90 69.97 113.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.872 0.733 . . . . 0.0 110.786 -174.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.94 153.78 37.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.719 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.98 -33.11 60.92 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.33 59.36 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.037 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.25 -41.22 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 109.978 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.75 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.268 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -59.01 -53.03 62.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.423 HG21 HG22 ' A' ' 7' ' ' VAL . 91.4 t -64.25 -41.2 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.403 ' HB3' ' HD1' ' A' ' 102' ' ' PHE . 32.4 tpp -59.71 -46.91 87.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.168 0.509 . . . . 0.0 110.075 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -66.25 -35.02 79.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.112 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -58.36 -41.59 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.129 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 95.4 mt-30 -66.02 -46.75 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 1.2 m-20 -76.66 -14.42 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.18 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 5.9 m-20 68.69 22.54 7.42 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.449 0.468 . . . . 0.0 110.907 179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 9.0 tt -106.07 114.65 28.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.851 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -69.13 125.36 26.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.385 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.52 112.92 24.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.27 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -95.03 -175.49 3.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.97 -33.49 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.265 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.23 -52.47 63.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.462 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.7 m80 -64.28 -48.68 74.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.794 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -58.63 -36.08 73.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.755 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.91 -41.9 86.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.725 0.298 . . . . 0.0 110.614 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.88 -40.38 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.542 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.8 mt -59.84 -48.89 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.22 176.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -62.37 -40.82 97.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.287 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 66.3 t80 -58.99 -48.71 80.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.52 -34.15 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.038 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HD2' ' CE3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -56.51 -55.74 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.722 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.56 -47.68 83.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.425 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . 41.2 t80 -60.17 -45.98 91.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -76.63 -37.37 56.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.326 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.04 -13.83 59.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 111.021 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -109.95 -48.12 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.425 ' HD2' ' HA ' ' A' ' 56' ' ' TYR . 93.4 m-85 -91.2 -16.18 28.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.3 26.78 13.74 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.776 0.43 . . . . 0.0 111.452 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.56 140.89 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.534 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.13 112.05 65.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -84.56 142.38 9.27 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.52 2.147 . . . . 0.0 113.499 -173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 -178.97 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.46 -38.51 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.955 0.407 . . . . 0.0 110.237 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -53.36 -35.5 60.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.685 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.71 -45.11 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -56.64 -41.56 77.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.526 -177.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 m -56.78 -41.14 77.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 111.876 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.12 -26.18 31.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 111.075 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -69.67 -42.0 74.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.286 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.716 HG13 HD23 ' A' ' 77' ' ' LEU . 75.7 t -60.53 -25.09 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.706 176.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.01 -22.05 64.35 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.832 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -87.61 -22.97 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.207 0.527 . . . . 0.0 110.181 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -88.82 -61.16 1.77 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.716 HD23 HG13 ' A' ' 73' ' ' VAL . 4.3 mm? -83.45 -21.49 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -175.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.15 -176.62 17.58 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.542 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -85.47 9.66 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.303 . . . . 0.0 111.294 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.701 ' HG3' ' HD2' ' A' ' 81' ' ' LYS . 9.1 pt-20 -120.34 5.78 10.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 111.338 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.701 ' HD2' ' HG3' ' A' ' 80' ' ' GLU . 8.8 mptt -129.97 161.96 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.17 4.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 65.84 -73.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.235 0.614 . . . . 0.0 111.658 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.6 t -178.28 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -58.77 -37.73 76.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.015 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.1 t80 -64.62 -32.95 74.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.668 0.27 . . . . 0.0 110.761 -176.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 49.2 mt -84.36 -32.1 24.41 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.241 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -76.64 -9.33 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.248 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 p -99.69 -32.45 11.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.204 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 40.5 mt -63.21 -51.28 66.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.007 0.432 . . . . 0.0 110.052 172.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -122.46 90.18 49.45 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.632 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.1 0.3 6.86 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.874 2.382 . . . . 0.0 112.651 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.403 ' HB3' ' CG ' ' A' ' 98' ' ' GLN . 4.5 t80 -110.76 10.1 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 109.96 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.3 105.18 2.14 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.768 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.559 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 83.1 Cg_exo -46.79 -66.87 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.632 2.888 . . . . 0.0 113.72 -174.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.56 80.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.659 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -68.94 -39.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.153 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.403 ' CG ' ' HB3' ' A' ' 93' ' ' TYR . 12.5 mm100 -77.33 -38.69 49.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.673 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.505 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.958 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.6 p -69.93 -28.19 65.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -62.82 -39.41 94.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.69 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.403 ' HD1' ' HB3' ' A' ' 34' ' ' MET . 25.2 m-85 -84.17 -31.6 25.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.806 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.03 36.81 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.999 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.69 44.11 13.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.602 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.958 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 58.8 mt -117.16 134.37 23.05 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -82.05 48.35 2.79 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.879 2.386 . . . . 0.0 113.338 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 9.8 mtpm? 70.54 127.53 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 123.681 0.613 . . . . 0.0 112.365 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 10.8 Cg_exo . . . . . 0 CA--C 1.529 0.263 0 C-N-CA 123.119 2.546 . . . . 0.0 111.455 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 2.8 p -134.64 120.19 19.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.815 0.34 . . . . 0.0 110.835 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.4 pt -89.91 136.35 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.65 106.71 19.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.221 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.43 118.51 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 67.4 -74.93 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.662 0.601 . . . . 0.0 111.02 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.67 16.1 0.32 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -116.05 143.61 45.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.485 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 88.0 mt-30 -107.46 105.4 15.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.171 0.51 . . . . 0.0 109.751 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -91.18 123.67 34.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.472 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.21 127.81 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.97 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -124.99 158.32 32.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.325 0.583 . . . . 0.0 111.948 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.02 151.1 48.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.409 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.53 -17.4 63.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -95.97 -18.27 20.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.659 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 114.76 65.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.91 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.3 152.35 48.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HG ' ' H ' ' A' ' 22' ' ' ASN . 25.5 tp -84.29 121.16 27.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.463 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 m -92.29 11.17 26.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.186 0.517 . . . . 0.0 110.654 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 25.7 t-20 -134.32 90.41 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.954 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.3 mt -88.06 13.75 10.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.878 0.371 . . . . 0.0 111.263 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.97 -46.26 30.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.345 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -99.01 -90.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.407 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.433 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 85.1 t90 62.54 102.95 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.524 0.73 . . . . 0.0 111.615 -175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.71 159.77 29.72 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.54 -34.06 32.67 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.65 2.233 . . . . 0.0 112.858 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.58 58.47 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.122 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 20' ' ' LEU . 89.8 t -65.57 -42.96 94.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.39 76.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.714 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -56.32 -57.14 13.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.175 0.512 . . . . 0.0 110.324 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.02 -37.25 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.825 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.9 tpp -66.96 -49.22 66.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . . . -64.85 -32.59 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -59.73 -35.63 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' A' ' 37' ' ' GLN . 14.5 mm-40 -66.81 -42.08 86.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.989 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.73 -4.68 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.958 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 63.66 27.8 14.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.917 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.0 tp -99.23 139.5 34.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.284 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -82.31 130.33 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.72 94.06 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.594 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.21 -171.79 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -50.1 -53.12 29.43 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.989 0.423 . . . . 0.0 111.506 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 49' ' ' ILE . 27.2 mt-10 -68.76 -41.1 79.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.223 -175.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.473 ' O ' HG12 ' A' ' 50' ' ' ILE . 78.1 m80 -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.352 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -63.16 -40.64 98.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.502 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 37.2 t70 -73.17 -25.22 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.249 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -68.12 -44.96 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 102' ' ' PHE . 44.0 mm -62.78 -44.7 99.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.552 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 31.9 t30 -55.12 -47.09 75.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.627 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 73.9 t80 -60.86 -43.73 97.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.551 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD21 HD13 ' A' ' 69' ' ' LEU . 32.7 mt -61.62 -38.89 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 110.395 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 17.6 tpt180 -60.71 -49.16 78.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.362 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.0 mt-10 -61.46 -48.4 81.32 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 110.781 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.65 -41.8 98.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.952 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 61.4 t80 -69.75 -38.78 76.92 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.548 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -42.28 85.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.099 -0.375 . . . . 0.0 111.646 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.64 -46.75 11.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.89 -16.6 25.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.577 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 12.6 tp60 63.17 23.97 14.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.088 0.47 . . . . 0.0 111.217 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 tt -139.46 144.89 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 122.26 -0.275 . . . . 0.0 110.646 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -95.34 125.69 48.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.18 149.04 35.43 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.457 2.105 . . . . 0.0 113.019 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.78 178.2 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.446 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -60.13 -43.85 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 110.279 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -65.65 -39.31 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.23 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 HD21 ' A' ' 53' ' ' LEU . 63.2 tp -61.12 -50.26 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.127 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 m -56.13 -42.77 77.42 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.994 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.68 -47.01 77.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.045 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -72.16 -39.6 68.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.672 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 69' ' ' LEU . 97.5 t -63.29 -30.81 50.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -72.29 8.44 6.83 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.943 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -132.97 -45.64 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.666 0.27 . . . . 0.0 110.344 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -63.3 -44.93 93.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 81' ' ' LYS . 24.1 tp -98.11 -38.66 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.022 0.439 . . . . 0.0 110.357 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 155.65 152.71 6.3 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.218 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -65.18 -41.53 94.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.017 0.437 . . . . 0.0 111.101 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -87.93 -29.18 21.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.522 0.677 . . . . 0.0 109.761 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.404 ' HG2' ' HG ' ' A' ' 77' ' ' LEU . 38.4 tptt -72.78 -41.81 64.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.707 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.42 60.18 4.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -90.43 151.08 21.56 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.531 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 24.9 m -57.9 -50.47 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.291 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -58.27 -36.29 73.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.25 -43.8 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.353 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 95' ' ' PRO . 4.1 mm? -62.2 -40.85 97.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.243 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.531 ' HD1' ' O ' ' A' ' 84' ' ' SER . 63.9 m-85 -73.73 -17.79 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.26 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 m -83.52 -30.74 26.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.491 . . . . 0.0 109.729 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.61 -50.97 18.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.791 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.9 m-85 -120.36 96.71 49.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.84 -25.09 39.53 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.201 2.601 . . . . 0.0 113.288 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -93.73 14.37 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 110.864 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.06 116.58 3.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.756 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 72.3 Cg_exo -49.76 -56.03 3.54 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.352 2.701 . . . . 0.0 112.776 -177.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.92 80.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.416 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.2 -54.13 50.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.566 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.8 mm-40 -63.58 -47.53 81.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.31 84.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.848 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -62.68 -35.85 81.01 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.41 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 39.2 ttm180 -58.62 -44.65 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.967 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.492 ' HB2' HD12 ' A' ' 50' ' ' ILE . 13.5 m-85 -79.65 -31.94 41.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.376 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.09 -10.09 59.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.57 12.35 67.11 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.61 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 88.3 mt -86.21 142.33 35.72 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.41 -179.96 3.6 Favored 'Trans proline' 0 CA--C 1.527 0.161 0 C-N-CA 122.446 2.098 . . . . 0.0 111.572 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -50.41 107.16 0.74 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 123.521 0.513 . . . . 0.0 111.403 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.519 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 14.4 Cg_endo . . . . . 0 N--CA 1.456 -0.72 0 C-N-CA 123.252 2.635 . . . . 0.0 112.946 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 C--O 1.231 0.124 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.5 p -138.47 157.49 46.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.846 0.355 . . . . 0.0 111.765 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 pt -126.49 143.58 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.09 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -91.81 104.14 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 0.0 110.355 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.03 85.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.601 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 55.85 81.13 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.807 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 19.5 59.37 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.528 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -145.32 139.29 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.11 116.19 30.71 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.046 0.451 . . . . 0.0 110.252 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -98.21 126.7 43.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.393 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 22' ' ' ASN . . . -70.15 118.15 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.032 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.02 157.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.15 162.97 18.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.78 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.97 -22.85 67.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.684 0.278 . . . . 0.0 111.055 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -74.15 -11.48 60.31 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 175.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.96 17.24 54.46 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.503 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 14.2 m-85 -93.25 -175.55 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.729 0.412 . . . . 0.0 110.227 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.93 108.91 21.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -83.41 -27.79 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.0 110.344 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.577 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 18.1 t-20 -85.83 78.58 9.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 109.995 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.71 114.35 9.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.42 -60.21 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.552 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 36.0 t70 -141.92 -49.66 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.528 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.494 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 77.3 t90 74.03 133.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.867 0.729 . . . . 0.0 111.647 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 30' ' ' VAL . 23.4 m -118.25 150.17 47.16 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.737 175.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.39 -28.81 74.55 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.692 2.261 . . . . 0.0 112.593 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.31 64.81 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.838 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 HG22 ' A' ' 27' ' ' VAL . 84.4 t -63.34 -46.76 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.82 94.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.446 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.07 -56.49 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.492 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.15 -26.52 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.956 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.574 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 50.6 ttm -75.37 -48.49 22.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.726 0.298 . . . . 0.0 110.43 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.94 63.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.39 -43.76 96.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.111 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -70.89 -36.16 72.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -9.93 59.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.537 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 54.16 45.14 28.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.825 0.821 . . . . 0.0 110.236 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -113.36 110.27 20.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.403 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.64 109.44 3.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.784 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.17 103.5 10.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -87.97 -178.88 6.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.515 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.76 -43.19 80.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 49' ' ' ILE . 1.7 mp0 -57.85 -44.33 86.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.686 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.8 m80 -64.77 -49.16 71.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.674 178.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -60.63 -36.74 79.38 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.348 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.23 -41.5 89.98 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.517 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.7 mm -63.07 -43.43 98.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.107 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 46' ' ' HIS . 89.2 mt -60.03 -50.6 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.366 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -60.4 -47.21 87.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.084 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.65 -37.9 85.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD21 ' HD2' ' A' ' 64' ' ' PRO . 1.2 tt -71.25 -40.8 70.8 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.967 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.12 -42.5 80.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.665 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.19 -42.56 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -66.08 -45.94 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.839 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -62.76 -35.72 80.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 111.077 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -84.61 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.775 -175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.0 -8.13 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 64.82 21.74 12.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -122.05 141.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.227 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.81 104.46 9.35 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.434 ' HD2' HD21 ' A' ' 53' ' ' LEU . 45.0 Cg_endo -69.61 122.9 9.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.698 2.265 . . . . 0.0 113.012 -174.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 174.93 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.725 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.68 -46.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -65.07 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.249 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.4 t -75.16 -49.9 26.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.2 tp -59.03 -48.6 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.038 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.0 m -61.91 -33.99 75.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 111.207 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -73.93 -30.95 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.989 0.423 . . . . 0.0 110.284 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.16 60.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.179 0.514 . . . . 0.0 110.605 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.512 HG21 HD21 ' A' ' 87' ' ' LEU . 77.4 t -61.56 -27.13 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.122 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -70.93 -3.36 51.02 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.564 -0.743 . . . . 0.0 113.02 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -103.86 -53.27 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.553 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.63 -42.7 16.4 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 73' ' ' VAL . 3.7 mm? -88.4 -45.33 10.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.188 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.52 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 158.14 166.64 17.76 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.045 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.5 -32.05 64.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 0.0 110.879 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -31.3 21.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.393 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.79 -37.47 64.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.638 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.61 60.75 4.65 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.699 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -129.44 -73.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 66.4 m -163.46 -59.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -177.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -48.53 -49.98 33.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.107 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.469 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 63.6 t80 -58.05 -48.67 79.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.648 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 73' ' ' VAL . 4.2 mm? -69.35 -38.0 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.7 -176.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.485 ' HD1' ' O ' ' A' ' 84' ' ' SER . 66.9 m-85 -76.83 -21.8 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.344 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 p -82.26 -21.66 36.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.514 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.0 mt -82.29 -52.55 6.82 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.938 0.399 . . . . 0.0 110.328 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.549 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 65.6 m-85 -125.52 90.58 50.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.244 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.51 -18.48 38.14 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.907 2.404 . . . . 0.0 112.401 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -91.09 5.7 47.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.186 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.51 105.61 1.33 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.823 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.549 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 82.2 Cg_exo -46.57 -66.25 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.657 2.905 . . . . 0.0 113.205 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.76 69.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.416 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 97' ' ' LYS . 3.3 mmmp? -59.5 -49.93 75.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -176.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.66 -41.34 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.081 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.58 -50.78 72.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.435 ' HB2' HD12 ' A' ' 105' ' ' LEU . 25.5 p -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.038 0.447 . . . . 0.0 110.639 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.574 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 45.7 ttt180 -61.73 -46.96 87.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.443 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -74.47 -23.03 58.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.19 -7.34 55.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . 80.08 33.31 33.17 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.578 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' O ' ' HD2' ' A' ' 19' ' ' TYR . 72.6 mt -102.23 163.33 17.92 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 173.87 11.0 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.207 1.938 . . . . 0.0 111.287 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -79.04 116.21 58.35 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.336 0.588 . . . . 0.0 111.096 -174.504 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 6.2 Cg_exo . . . . . 0 N--CA 1.457 -0.667 0 C-N-CA 123.002 2.468 . . . . 0.0 111.105 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.776 0.798 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 13' ' ' ALA . 75.0 p -119.77 147.06 45.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.844 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.56 ' CG1' ' HB2' ' A' ' 12' ' ' PHE . 31.2 pt -88.87 125.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.82 107.01 19.22 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.491 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.19 107.7 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 71.66 -1.45 2.8 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.743 0.652 . . . . 0.0 111.137 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -18.17 8.3 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -85.51 138.21 32.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -104.78 113.96 27.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.096 0.474 . . . . 0.0 111.527 -173.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 93.4 m-85 -94.36 121.37 35.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.993 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -64.17 121.23 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.468 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 20' ' ' LEU . 28.1 m -128.68 155.88 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.953 176.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 -175.35 3.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.713 0.292 . . . . 0.0 110.842 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.3 -27.46 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.45 0.67 55.19 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.735 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.31 13.76 65.21 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.583 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.52 133.33 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.32 0.56 . . . . 0.0 110.426 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HA ' HG12 ' A' ' 14' ' ' VAL . 31.7 tp -70.24 114.46 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.246 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -75.55 -22.19 57.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.325 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -98.54 88.41 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 111.357 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.09 84.05 7.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.231 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -178.65 -48.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.128 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.09 11.67 24.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.838 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -51.44 133.14 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.818 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.28 161.47 61.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.332 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -53.06 -36.6 76.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.653 2.235 . . . . 0.0 112.778 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.47 -27.33 63.27 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.9 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.436 HG13 HD11 ' A' ' 5' ' ' ILE . 75.1 t -59.31 -49.77 82.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.34 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.67 79.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.943 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.21 -57.46 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.191 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 60.2 t -63.05 -38.32 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.404 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 42.0 ttm -64.72 -41.01 96.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.63 76.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.019 0.438 . . . . 0.0 110.305 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.85 -33.86 76.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.117 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 27.9 mt-30 -74.09 -36.62 64.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.19 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -86.44 -11.21 52.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.92 76.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.806 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.1 tp -150.95 142.44 23.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.963 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -94.04 143.21 26.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.68 101.36 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.068 0.461 . . . . 0.0 110.989 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -91.76 -175.21 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.833 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.12 -43.32 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.279 . . . . 0.0 110.683 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 49' ' ' ILE . 1.9 pm0 -65.85 -36.33 83.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -63.53 -50.01 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -62.13 -40.8 97.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -35.57 81.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.313 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 45' ' ' GLU . 72.1 mt -66.83 -45.48 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 110.377 176.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -62.08 -43.1 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.467 . . . . 0.0 109.927 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.73 -40.91 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.568 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.607 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 61.9 t80 -61.72 -41.57 97.81 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.424 HD21 HD13 ' A' ' 69' ' ' LEU . 90.2 mt -70.31 -39.46 74.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 54' ' ' ARG . 30.3 tpt85 -56.59 -47.19 80.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.224 174.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.63 -53.04 31.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.125 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.67 -41.68 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.879 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.473 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 75.3 t80 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.05 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.74 -37.47 70.56 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -79.14 -65.32 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.13 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -78.66 -16.79 56.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.702 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 24.9 mm-40 64.29 26.22 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.789 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.66 143.7 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.102 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -99.66 128.78 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.322 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -82.22 140.23 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.234 2.623 . . . . 0.0 113.046 -177.398 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.95 179.74 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.218 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.64 -40.63 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.601 0.238 . . . . 0.0 111.525 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 67' ' ' ARG . 25.7 ttt85 -70.51 -36.04 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.08 0.467 . . . . 0.0 110.723 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 t -75.5 -40.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -61.86 -52.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -55.81 -36.4 67.4 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.262 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 31.7 ttpt -55.7 -47.96 75.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.601 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.36 -38.98 55.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.979 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.504 HG11 HD21 ' A' ' 87' ' ' LEU . 73.2 t -55.49 -42.42 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -59.34 -42.7 97.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.891 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -80.12 -34.92 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 111.0 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.607 ' HE2' ' HB2' ' A' ' 52' ' ' PHE . 46.3 tttp -72.3 -45.72 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.92 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD13 HG13 ' A' ' 73' ' ' VAL . 11.0 mp -80.43 -33.27 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.29 -97.08 0.16 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.8 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -139.09 -73.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 111.811 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -80.92 -7.21 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 111.557 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.23 -6.06 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.302 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.491 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -120.77 81.76 0.34 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.735 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -142.95 -66.62 0.38 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.4 p -174.79 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.487 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -49.19 -59.74 3.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.068 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.92 -40.52 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.504 HD21 HG11 ' A' ' 73' ' ' VAL . 29.1 mt -75.68 -33.27 60.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -79.95 -11.05 59.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.92 0.391 . . . . 0.0 110.811 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -85.66 -27.76 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.53 -55.29 5.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 94.6 m-85 -118.32 105.26 46.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.723 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.11 -8.81 20.27 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.717 2.278 . . . . 0.0 113.63 -174.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.19 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.303 0.573 . . . . 0.0 109.831 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.8 110.77 0.42 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.973 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 6.6 Cg_endo -49.32 -54.55 5.27 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.314 2.676 . . . . 0.0 112.783 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.01 67.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -67.63 -42.29 82.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.601 -173.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' A' ' 91' ' ' PHE . 50.7 mt-30 -70.49 -42.91 70.75 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.68 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.97 81.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.6 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.788 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -63.47 -37.27 86.65 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 38.4 ttp180 -55.71 -45.63 77.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.769 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.01 -31.11 72.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.4 52.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.459 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 95.61 6.88 59.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.422 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.4 mt -85.73 121.74 73.2 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 122.763 -0.257 . . . . 0.0 110.572 -177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 19.2 Cg_endo -60.26 159.07 28.04 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.545 2.163 . . . . 0.0 110.9 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.574 ' H ' ' HD3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -50.67 109.07 1.18 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 111.578 -175.125 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo . . . . . 0 N--CA 1.455 -0.766 0 C-N-CA 123.157 2.572 . . . . 0.0 112.408 -176.839 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 13.7 p -138.32 137.3 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.935 0.398 . . . . 0.0 111.776 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.5 pt -105.08 137.2 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.166 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 5.1 tm-20 -88.39 109.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.059 0.457 . . . . 0.0 110.221 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 33' ' ' VAL . 58.2 t -129.65 114.43 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.366 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 58.49 30.34 19.59 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.892 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -11.38 71.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.547 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 68.2 mttm -95.76 168.69 10.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.686 0.279 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 15.8 pt20 -128.92 105.95 8.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.448 0.642 . . . . 0.0 110.151 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 97.7 m-85 -91.8 134.4 34.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.163 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 126.14 30.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.249 0.547 . . . . 0.0 111.483 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.15 144.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.64 157.7 33.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.737 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.06 -30.46 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.397 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.38 -1.18 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.58 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.66 28.97 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.86 173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 92.5 m-85 -113.83 151.07 32.62 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.8 120.01 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.657 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.5 p -91.05 -18.2 24.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -106.18 95.8 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.937 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.524 HD21 ' O ' ' A' ' 104' ' ' GLY . 85.9 mt -94.84 -156.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.271 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' HB3' ' A' ' 23' ' ' LEU . 64.0 t30 78.16 -37.14 0.22 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.699 0.799 . . . . 0.0 111.218 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.39 -88.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.749 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.63 ' HE3' HH11 ' A' ' 54' ' ' ARG . 87.1 t90 63.25 125.66 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.62 0.768 . . . . 0.0 111.87 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.98 153.07 63.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.171 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -53.34 -28.37 43.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.105 2.537 . . . . 0.0 112.804 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.25 -29.04 67.83 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.35 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.44 -44.3 86.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.12 89.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -51.67 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 7' ' ' VAL . 99.7 t -63.12 -42.84 98.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.684 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.9 tpp -58.54 -54.02 51.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.65 78.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.502 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -55.93 -42.07 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -67.91 -36.89 80.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.5 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.16 3.45 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.605 0.24 . . . . 0.0 111.434 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 66.9 53.8 0.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.296 0.57 . . . . 0.0 111.052 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 102' ' ' PHE . 21.9 tp -140.56 145.03 36.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.143 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -108.84 145.39 35.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -111.5 115.61 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.161 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.499 ' HB ' ' OE1' ' A' ' 44' ' ' GLU . 41.6 p -95.8 -174.95 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 1.7 pm0 -60.14 -31.49 70.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.205 0.526 . . . . 0.0 110.06 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 49' ' ' ILE . 37.9 mt-10 -60.9 -51.35 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.908 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.3 m80 -64.52 -46.93 80.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.855 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -58.82 -38.83 79.53 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.654 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.7 -40.95 92.8 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.56 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -65.38 -43.06 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.771 0.32 . . . . 0.0 110.471 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 46' ' ' HIS . 81.5 mt -60.5 -48.17 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.04 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.52 -40.63 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.014 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 81.1 t80 -60.92 -39.34 89.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 69' ' ' LEU . 38.3 mt -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.006 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.63 HH11 ' HE3' ' A' ' 26' ' ' TRP . 20.2 ttt85 -61.22 -50.68 72.12 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.165 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.73 -34.26 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 52' ' ' PHE . 17.5 t80 -65.55 -40.75 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.088 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -75.72 -37.06 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.7 -42.3 88.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.08 -59.91 1.86 Allowed 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -81.36 -23.67 37.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.531 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 64.93 21.74 12.37 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -117.97 139.92 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.68 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -98.14 108.59 47.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.411 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 10.9 Cg_exo -70.28 134.95 28.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.912 2.408 . . . . 0.0 113.072 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.33 -178.48 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.98 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.82 -40.89 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.928 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.08 -38.78 89.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.1 t -78.82 -48.74 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.373 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD13 HD21 ' A' ' 53' ' ' LEU . 64.9 tp -57.02 -52.54 64.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.446 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -55.01 -47.46 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.484 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.07 -37.54 87.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.028 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.26 -32.81 69.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.795 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 69' ' ' LEU . 90.7 t -61.27 -43.1 95.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 110.684 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.15 12.12 7.34 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.974 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -105.56 -34.28 7.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 110.225 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -96.73 -49.95 4.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.277 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 81' ' ' LYS . 37.1 tp -70.61 -58.69 3.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.536 -169.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.87 158.53 31.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.417 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.38 -28.88 70.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -126.15 22.87 7.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 0.0 110.075 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.437 ' HB3' HD23 ' A' ' 77' ' ' LEU . 48.0 mttm -112.92 84.55 2.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.076 174.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 37.91 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.48 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.48 -176.11 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 88' ' ' TYR . 10.2 m -54.48 -66.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.75 -24.97 67.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.102 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 21.2 t80 -56.2 -51.92 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.204 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 95' ' ' PRO . 3.5 mm? -74.29 -35.01 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.306 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.511 ' HD2' ' O ' ' A' ' 84' ' ' SER . 49.6 m-85 -69.38 -27.33 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.674 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -82.62 -27.03 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.61 0.243 . . . . 0.0 110.937 175.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 85.7 mt -67.11 -56.47 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.0 110.011 175.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.574 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 90.2 m-85 -123.78 105.63 32.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.25 -43.57 22.91 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.982 2.455 . . . . 0.0 113.042 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -88.84 61.27 5.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.419 0.628 . . . . 0.0 110.437 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.39 110.06 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.681 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 84.2 Cg_exo -45.68 -55.1 3.82 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.403 2.735 . . . . 0.0 112.901 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.64 -39.41 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.543 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -61.88 -54.35 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 10.7 mm100 -64.06 -49.62 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.25 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.602 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.3 p -66.87 -36.47 82.39 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.652 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.22 -38.04 87.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 24.3 m-85 -74.13 -35.61 64.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.03 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.524 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 91.76 5.22 66.73 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.404 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 61.9 mt -78.36 140.62 60.73 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.71 160.32 37.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 111.909 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 19' ' ' TYR . 44.3 tttm -58.74 110.12 2.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.549 -176.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 C-N-CA 123.241 2.628 . . . . 0.0 113.269 -177.843 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.231 0.132 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.7 119.52 14.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 111.146 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.3 pt -94.06 137.04 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.768 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.03 110.0 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.311 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -112.01 84.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t70 40.98 80.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.534 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.49 -29.97 5.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.443 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.63 131.75 45.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.87 0.367 . . . . 0.0 111.392 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -102.89 106.64 17.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.904 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -98.4 119.87 37.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.11 0.481 . . . . 0.0 110.931 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.98 127.4 33.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.6 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.13 142.06 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.656 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -176.09 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.316 . . . . 0.0 110.72 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.17 -19.74 60.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.366 -173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.08 -0.72 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.249 0.547 . . . . 0.0 110.515 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.99 31.07 27.04 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.746 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -109.8 153.87 23.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.381 . . . . 0.0 110.532 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -71.06 119.21 14.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.2 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -86.09 -20.62 28.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 0.0 111.58 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.99 107.86 19.09 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD21 ' O ' ' A' ' 104' ' ' GLY . 74.4 mt -95.39 -177.01 3.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.822 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 52.55 18.95 1.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.813 1.245 . . . . 0.0 113.341 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.65 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 t90 30.84 106.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.698 1.599 . . . . 0.0 114.791 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.86 153.85 40.56 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.191 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.18 -30.37 50.42 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.743 2.295 . . . . 0.0 112.62 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 -31.0 75.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.827 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.3 t -59.27 -50.44 79.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.456 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.69 91.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.847 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.543 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 14.0 t70 -63.48 -56.81 13.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.44 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 81.4 t -60.82 -36.66 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.439 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 43.5 ttm -68.68 -42.55 77.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.783 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.58 91.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.367 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 1.6 mptm? -62.42 -31.97 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 27.3 mt-30 -74.84 -24.89 58.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -101.35 0.71 37.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.618 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 69.56 48.0 0.63 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.493 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD22 HE21 ' A' ' 98' ' ' GLN . 23.1 tp -135.04 140.67 45.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.85 153.58 18.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -118.78 110.11 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.8 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 p -93.62 -178.25 4.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.015 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.18 -31.0 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.021 0.439 . . . . 0.0 110.206 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 49' ' ' ILE . 4.9 mm-40 -70.81 -44.6 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.797 178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -61.98 -47.01 86.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -59.93 -35.74 75.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.33 -38.29 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.698 0.285 . . . . 0.0 110.616 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.4 mm -67.17 -44.43 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.422 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.29 -44.77 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.978 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 15.2 t-20 -59.29 -44.85 92.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.646 176.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.54 -44.47 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 53' ' ' LEU . 14.0 mt -65.79 -37.96 87.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.84 -51.29 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 14.6 mm-40 -60.87 -46.94 88.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.503 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.68 -49.7 76.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -73.17 -37.65 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.382 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.77 -34.97 74.51 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.983 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.32 -40.68 12.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -104.07 -12.7 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 65.29 23.82 12.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.094 0.558 . . . . 0.0 111.275 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.87 129.87 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.36 109.06 43.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.26 143.86 22.73 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.46 2.107 . . . . 0.0 112.664 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.29 -176.05 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.445 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -47.62 -57.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -58.39 -45.97 87.28 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.776 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.03 -46.77 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.981 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 73' ' ' VAL . 54.7 tp -60.62 -51.21 70.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.761 HG21 ' H ' ' A' ' 84' ' ' SER . 22.4 m -62.61 -28.63 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.34 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.71 -34.98 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.08 -27.56 43.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.559 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 69' ' ' LEU . 96.4 t -60.35 -35.97 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.778 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.68 -11.85 63.35 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.256 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -93.73 -22.85 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.841 0.353 . . . . 0.0 110.49 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HD3' ' C ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -101.75 -62.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 109.894 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.61 -33.39 60.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.66 171.78 13.62 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 80' ' ' GLU . 35.5 mtmm -77.79 150.66 34.28 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 45.3 mt-10 75.38 -39.41 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.794 0.684 . . . . 0.0 110.422 -173.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -81.08 -0.86 41.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.815 0.817 . . . . 0.0 109.055 168.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.59 172.4 21.91 Favored Glycine 0 N--CA 1.438 -1.182 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 172.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.433 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.3 t30 65.5 94.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.534 0.683 . . . . 0.0 112.035 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.761 ' H ' HG21 ' A' ' 70' ' ' THR . 8.8 t 68.95 -79.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.943 171.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -47.64 -67.64 0.26 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -167.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 t80 -62.72 -34.89 78.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.804 -170.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.6 mm? -68.0 -40.68 82.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.264 . . . . 0.0 110.919 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 84' ' ' SER . 55.7 m-85 -76.18 -20.32 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.745 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.5 m -83.01 -30.46 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.558 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 78.9 mt -78.1 -49.71 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.522 176.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 58.6 m-85 -116.9 92.52 39.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.435 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -71.29 -13.01 30.57 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.527 2.152 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.93 4.08 54.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.497 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.472 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 122.43 109.66 2.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.882 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.0 Cg_endo -48.2 -65.85 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.733 2.955 . . . . 0.0 113.404 -176.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.84 80.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.115 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -54.06 -53.62 50.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.409 HE21 HD22 ' A' ' 40' ' ' LEU . 14.1 mm100 -71.72 -46.75 57.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.135 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.94 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.638 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.734 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.2 p -70.21 -33.88 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.469 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 78.9 ttt180 -60.83 -49.17 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.64 -28.16 66.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.6 -13.19 59.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.526 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 95.3 -1.76 64.85 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.8 mt -65.54 122.47 80.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.735 0.302 . . . . 0.0 110.537 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 71.8 Cg_endo -75.51 48.04 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.424 2.75 . . . . 0.0 113.277 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 106' ' ' PRO . 49.9 mtmt 75.01 123.92 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.967 0.792 . . . . 0.0 111.861 178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 13.7 Cg_exo . . . . . 0 C--O 1.236 0.391 0 C-N-CA 122.909 2.406 . . . . 0.0 111.33 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.441 -0.901 0 CA-C-O 121.337 0.589 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 13' ' ' ALA . 1.5 p -135.27 139.38 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.364 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 30' ' ' VAL . 32.9 pt -99.52 141.59 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -97.84 107.95 20.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 110.532 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.66 101.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.773 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 58.45 55.61 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.694 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.15 -21.21 7.2 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.782 -0.644 . . . . 0.0 113.292 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -104.4 142.64 34.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 94.3 mt-30 -104.3 134.22 47.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.083 0.468 . . . . 0.0 111.23 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.78 134.12 55.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.207 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -70.51 125.99 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.514 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 20' ' ' LEU . 33.5 m -128.01 169.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.061 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.86 -175.56 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -69.49 -19.24 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.616 0.246 . . . . 0.0 111.422 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.29 -28.76 23.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.318 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.69 0.67 12.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 101' ' ' ARG . 20.8 m-85 -65.06 125.9 26.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.833 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 31.9 tp -54.45 104.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.449 0.468 . . . . 0.0 110.15 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -94.79 -2.46 50.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -107.34 82.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 89.51 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.274 0.559 . . . . 0.0 111.041 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -96.72 -37.64 10.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.408 176.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 13.7 t70 -166.79 -38.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.689 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.529 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 83.5 t90 79.72 122.68 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.095 0.872 . . . . 0.0 110.951 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -115.14 151.86 46.13 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.688 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -49.95 -34.95 39.23 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.296 2.664 . . . . 0.0 113.165 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.3 67.09 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.791 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 5' ' ' ILE . 78.3 t -60.94 -48.16 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.64 78.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.785 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 42' ' ' LEU . 21.2 t70 -59.24 -55.1 39.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.563 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.19 -37.46 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.47 . . . . 0.0 110.517 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.536 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 34.5 ttm -68.27 -45.37 73.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.898 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -33.72 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.372 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.02 -21.13 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.041 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.17 -31.03 15.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.437 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.39 -12.64 59.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.8 t30 69.56 47.3 0.67 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.539 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.2 tp -133.41 141.88 48.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.81 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -84.09 139.88 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 32' ' ' ASP . 74.6 mt -101.45 95.22 6.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 110.177 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.0 m -95.5 166.6 11.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.759 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -51.4 -33.11 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' O ' HG12 ' A' ' 49' ' ' ILE . 13.8 mm-40 -56.15 -58.9 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.146 172.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -61.1 -41.22 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.174 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -56.73 -42.96 80.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.518 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 16.0 t70 -76.1 -28.48 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.881 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.2 mm -63.78 -46.79 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 103' ' ' ALA . 69.9 mt -64.7 -41.67 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.933 175.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 38.5 t30 -57.29 -49.68 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.893 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 53' ' ' LEU . 27.6 mt -64.98 -36.09 83.29 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.588 176.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -67.01 -48.54 68.07 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.685 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 45.7 mt-10 -53.21 -44.24 67.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.817 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -77.23 -39.13 49.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.693 0.282 . . . . 0.0 111.534 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -70.0 -30.15 67.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.778 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.01 -64.79 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.556 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -75.84 -9.42 58.58 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.666 -172.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.73 19.97 11.45 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.868 0.467 . . . . 0.0 111.792 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 tt -136.95 144.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.845 0.355 . . . . 0.0 110.758 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.95 121.59 47.34 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.925 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 87.4 Cg_endo -83.9 164.68 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.942 2.428 . . . . 0.0 113.64 -174.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.2 -180.0 5.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -54.66 -47.27 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 123.101 0.251 . . . . 0.0 111.647 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.72 -51.11 68.46 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.06 0.457 . . . . 0.0 110.977 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 39.4 t -66.82 -46.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.936 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 73' ' ' VAL . 65.8 tp -56.73 -56.97 14.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.33 -178.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.499 HG23 HD23 ' A' ' 87' ' ' LEU . 19.1 m -55.87 -37.0 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.06 -175.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -82.65 -28.42 30.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.29 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.66 55.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.976 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 69' ' ' LEU . 86.1 t -57.72 -29.52 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 176.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -69.6 -10.35 63.55 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.375 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.12 -19.8 15.61 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.612 -0.346 . . . . 0.0 111.215 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.3 -35.68 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.818 -169.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -100.3 -45.61 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.844 0.354 . . . . 0.0 110.514 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.575 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 171.0 149.18 6.34 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -73.58 -15.09 61.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.279 0.539 . . . . 0.0 111.746 -173.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 22.9 mp0 -77.84 -24.37 48.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 8.8 mptt -87.93 110.23 20.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.326 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.91 -25.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.261 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -63.32 139.82 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 174.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -59.74 -26.96 66.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.655 0.264 . . . . 0.0 110.618 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -46.56 -45.46 18.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.97 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -59.69 -58.51 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.983 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.499 HD23 HG23 ' A' ' 70' ' ' THR . 4.4 mm? -69.71 -34.26 73.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.745 -174.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.32 -6.83 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.2 m -94.19 -30.54 14.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.75 -44.97 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.472 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 82.9 m-85 -121.98 103.23 39.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.281 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.05 -5.54 14.55 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.1 2.534 . . . . 0.0 113.021 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.26 16.12 13.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.86 101.75 2.12 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.337 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.495 ' HB3' HD12 ' A' ' 87' ' ' LEU . 72.5 Cg_exo -49.3 -60.37 0.89 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.43 2.753 . . . . 0.0 112.956 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.65 76.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.453 ' HA ' ' HG ' ' A' ' 100' ' ' CYS . 54.6 tttp -72.22 -44.97 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -172.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -68.47 -43.78 76.23 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.21 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.72 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.757 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.5 p -69.0 -27.71 65.94 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.523 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.536 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 44.0 ttm180 -61.34 -50.19 73.95 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 23.0 m-85 -64.67 -33.91 77.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.057 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -78.0 -23.18 48.42 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.388 0.43 . . . . 0.0 111.549 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.833 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 86.89 30.52 20.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.444 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 75.9 mt -86.76 116.66 66.78 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.94 86.8 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.225 2.617 . . . . 0.0 113.312 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 108' ' ' PRO . 14.0 ptmm? 35.57 88.24 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 124.587 1.155 . . . . 0.0 113.115 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 9.4 Cg_endo . . . . . 0 C--O 1.235 0.37 0 C-N-CA 123.639 2.892 . . . . 0.0 113.124 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 21.5 p -136.53 131.82 34.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -176.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.498 HD11 HG13 ' A' ' 30' ' ' VAL . 30.2 pt -95.22 128.27 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -93.56 102.35 14.54 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.289 0.566 . . . . 0.0 110.75 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.09 129.46 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.078 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t70 65.98 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.588 0.555 . . . . 0.0 110.172 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 8.42 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -112.61 137.37 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.541 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 0.4 OUTLIER -89.07 108.66 19.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.094 176.06 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.01 124.41 35.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.01 123.32 21.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.629 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 20' ' ' LEU . 23.5 m -133.09 152.68 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.009 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -179.08 5.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.61 -25.11 60.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.62 -18.23 56.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.109 0.481 . . . . 0.0 109.762 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.53 17.61 13.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.299 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -87.02 139.91 30.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.065 0.432 . . . . 0.0 110.452 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.729 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 54.5 tp -63.81 116.73 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -84.27 -21.33 31.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.111 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -106.84 88.47 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.212 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.97 105.03 16.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -147.47 -71.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.422 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.34 -62.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 66.9 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.721 0.638 . . . . 0.0 111.259 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.75 155.59 77.03 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.619 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.04 -34.32 46.4 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.887 2.391 . . . . 0.0 112.639 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.43 -27.66 63.65 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.126 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG13 HD11 ' A' ' 5' ' ' ILE . 84.6 t -65.33 -50.7 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.03 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.92 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.084 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.4 -39.31 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.984 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.96 -46.77 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.261 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.84 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.736 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.14 -25.24 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.518 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -74.79 -50.99 15.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.248 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -16.57 64.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.874 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 t30 66.1 61.77 0.61 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.722 0.772 . . . . 0.0 109.974 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 tp -129.51 113.45 14.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.461 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.96 101.1 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.45 103.91 3.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -91.98 -176.36 4.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.481 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.54 -37.3 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.542 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 49' ' ' ILE . 36.5 mt-10 -72.34 -37.2 68.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.579 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.31 -47.27 71.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -61.4 -35.31 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.451 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.22 -38.14 75.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.953 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.0 mm -62.0 -47.37 93.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.195 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -44.32 91.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.068 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.7 t30 -55.31 -49.76 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.991 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' HZ ' ' HB1' ' A' ' 72' ' ' ALA . 65.6 t80 -61.29 -38.7 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 53' ' ' LEU . 24.3 mt -62.88 -37.5 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.007 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HE ' ' CD ' ' A' ' 58' ' ' GLU . 31.4 ttt180 -69.06 -41.34 77.71 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.928 176.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 50.8 mt-10 -56.45 -51.92 66.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.596 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.08 -39.92 87.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -68.38 -45.77 71.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.24 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' CD ' ' HE ' ' A' ' 54' ' ' ARG . 50.4 mt-10 -70.46 -17.9 62.99 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.97 -49.89 6.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -109.23 -6.25 15.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 59.98 28.91 18.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.375 0.607 . . . . 0.0 110.527 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -122.4 124.89 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.801 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -93.59 110.96 50.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.51 162.57 21.98 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.589 2.193 . . . . 0.0 113.565 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.24 -162.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.614 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.18 -65.52 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -70.67 -27.53 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.666 0.269 . . . . 0.0 111.055 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.12 -40.5 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.074 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 73' ' ' VAL . 67.6 tp -64.23 -50.38 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.345 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -48.42 -42.5 32.33 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.726 0.641 . . . . 0.0 112.04 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -56.87 -43.61 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.543 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -90.51 -7.88 51.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.748 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 69' ' ' LEU . 73.5 t -63.72 -31.38 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.5 176.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.66 -24.53 69.71 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.732 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -86.98 -25.78 24.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HG3' HD12 ' A' ' 77' ' ' LEU . 60.2 tptt -89.09 -60.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.392 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.508 HD13 HG13 ' A' ' 73' ' ' VAL . 10.4 mp -86.38 -66.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.561 -174.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.03 -170.83 43.21 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.016 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 43.1 tptt -78.56 110.93 14.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.798 0.332 . . . . 0.0 110.717 -173.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 61.91 12.62 4.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.949 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.28 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.417 ' HA3' HG11 ' A' ' 73' ' ' VAL . . . -76.69 -40.4 26.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p30 38.43 -96.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 112.819 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -168.35 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.23 -39.18 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.505 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -59.0 -45.03 91.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 2.7 mm? -61.83 -40.62 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.58 -18.03 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.707 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -81.37 -31.11 33.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.993 0.425 . . . . 0.0 110.004 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.4 mt -71.06 -47.77 56.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.87 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.534 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 55.2 m-85 -124.04 95.29 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.08 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.22 -22.25 61.11 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 123.243 2.628 . . . . 0.0 112.869 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -84.79 -7.88 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.083 0.468 . . . . 0.0 110.406 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 130.05 119.03 2.09 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.306 -0.717 . . . . 0.0 111.306 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.545 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.3 Cg_endo -52.18 -56.76 2.6 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.514 2.809 . . . . 0.0 112.829 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.84 76.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -51.14 -60.24 3.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.84 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -68.97 -42.48 76.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.466 -175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.27 90.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -70.84 -34.18 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 110.252 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -58.7 -52.23 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.679 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -68.1 -26.68 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.48 -20.69 54.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 111.522 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 99.14 17.54 26.99 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.894 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.631 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 92.9 mt -87.15 114.84 60.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.76 84.17 1.28 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 123.094 2.53 . . . . 0.0 113.596 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 mttm 54.2 65.63 5.1 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.153 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 55.3 Cg_endo . . . . . 0 C--N 1.346 0.418 0 C-N-CA 122.977 2.451 . . . . 0.0 112.893 -172.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 13' ' ' ALA . 35.8 p -125.57 127.82 46.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.814 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.545 HG13 ' HB2' ' A' ' 12' ' ' PHE . 19.6 pt -89.54 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 109.996 174.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.12 109.31 20.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.506 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.2 t -120.74 92.04 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.757 0.313 . . . . 0.0 111.459 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 61.22 44.53 9.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.113 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.46 36.46 23.41 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.776 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -150.23 122.28 8.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 117.45 31.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.735 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' HB2' HG13 ' A' ' 5' ' ' ILE . 94.6 m-85 -105.47 116.09 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.281 176.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -76.45 121.96 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.31 151.89 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.213 0.53 . . . . 0.0 111.134 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.64 162.77 28.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.901 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.53 -17.9 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.7 -1.12 57.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.88 38.97 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.553 175.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -98.81 138.77 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.223 0.511 . . . . 0.0 110.649 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.98 126.81 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -86.35 -36.23 19.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.026 0.441 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -91.09 83.93 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.922 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD21 ' O ' ' A' ' 104' ' ' GLY . 75.8 mt -87.62 88.53 7.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -163.99 -44.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.104 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.08 -87.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 66.79 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.991 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.13 160.42 68.59 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.402 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.56 -34.22 51.42 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.689 2.259 . . . . 0.0 112.281 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -28.72 62.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.094 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.09 -52.13 64.32 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 120.964 0.411 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -67.31 -40.92 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.434 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.37 -59.39 5.41 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.324 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.63 -39.12 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.89 ' HG2' HH21 ' A' ' 101' ' ' ARG . 41.3 ttm -67.89 -38.22 82.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.0 69.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.427 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -72.53 -23.03 60.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.57 -47.18 87.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.256 0.55 . . . . 0.0 109.636 173.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -15.77 57.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.732 176.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.1 t30 65.83 81.54 0.2 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.549 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.52 122.5 22.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.781 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -72.07 104.56 3.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.051 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.92 91.76 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -179.65 6.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 173.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.262 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -63.63 -47.48 81.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.202 173.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -45.59 75.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.271 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.66 -31.3 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.0 -44.63 92.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.187 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.69 -44.08 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.616 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.34 -46.88 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.564 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 50.5 t30 -61.25 -46.51 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.097 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -58.06 -40.88 82.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.501 HD21 HD13 ' A' ' 69' ' ' LEU . 25.8 mt -70.43 -32.41 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.34 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -66.09 -44.38 84.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 41.0 mt-10 -66.5 -33.29 75.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.517 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.57 -49.38 76.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.48 -34.08 75.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.2 0.524 . . . . 0.0 110.331 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.73 -41.33 99.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.378 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.65 -51.09 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.61 -22.39 50.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.127 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 64.46 24.02 13.05 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.599 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 tt -147.31 148.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.05 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 108' ' ' PRO . . . -96.83 132.19 26.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.83 152.27 8.6 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.71 2.273 . . . . 0.0 113.35 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.92 177.94 7.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.137 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.56 -38.4 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.32 -12.91 61.0 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.6 t -93.62 -47.18 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 HD21 ' A' ' 53' ' ' LEU . 64.3 tp -57.8 -40.38 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.5 m -56.57 -41.2 76.51 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.81 -33.37 62.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.581 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.72 95.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.66 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.478 HG13 HD23 ' A' ' 77' ' ' LEU . 92.6 t -62.13 -34.7 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 109.96 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.96 -24.44 70.13 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.607 177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -82.72 -43.0 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.008 0.432 . . . . 0.0 110.354 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.63 -50.28 9.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.947 -173.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.478 HD23 HG13 ' A' ' 73' ' ' VAL . 4.2 mm? -87.85 -46.69 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.328 . . . . 0.0 111.156 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 149.0 170.09 16.32 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.392 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.848 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.13 -30.17 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.87 9.11 40.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.032 0.444 . . . . 0.0 111.457 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -112.82 -13.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.11 49.42 4.23 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.943 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -135.36 153.94 51.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.1 m -57.12 -29.61 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.257 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.91 -46.26 67.95 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.967 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.93 -35.97 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.348 0.594 . . . . 0.0 110.785 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.631 ' HB3' ' HG3' ' A' ' 95' ' ' PRO . 4.5 mm? -76.1 -36.51 58.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.492 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -81.35 -14.54 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 p -84.88 -27.02 26.96 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.026 173.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.64 -47.91 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.601 171.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.448 ' CB ' ' HA ' ' A' ' 95' ' ' PRO . 75.3 m-85 -129.42 111.7 17.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.695 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.59 -24.05 14.14 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.743 2.295 . . . . 0.0 113.278 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -115.64 71.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 111.555 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.65 84.77 0.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.631 ' HG3' ' HB3' ' A' ' 87' ' ' LEU . 9.9 Cg_endo -52.94 -42.06 66.74 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.417 2.744 . . . . 0.0 113.549 -176.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.07 96.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 46.0 mtpt -73.13 -45.98 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.72 -175.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -46.91 85.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.065 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.35 91.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.491 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.755 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.5 p -70.1 -34.25 72.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.977 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.89 HH21 ' HG2' ' A' ' 34' ' ' MET . 30.5 ttp180 -58.78 -44.41 90.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.151 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.421 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . 20.1 m-85 -67.36 -33.82 76.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.15 -8.73 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.006 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.462 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.45 -0.83 66.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.613 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 85.1 mt -72.12 127.52 90.32 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.519 0.2 . . . . 0.0 110.911 -177.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.25 171.31 11.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.742 2.295 . . . . 0.0 112.124 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 30.9 ttmt -63.23 111.45 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 -177.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 85.6 Cg_endo . . . . . 0 N--CA 1.458 -0.576 0 C-N-CA 122.844 2.363 . . . . 0.0 112.727 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 13' ' ' ALA . 74.2 p -121.27 128.89 52.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.205 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.512 HD11 HG13 ' A' ' 30' ' ' VAL . 27.7 pt -91.79 127.33 44.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.23 107.61 19.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.011 0.434 . . . . 0.0 110.188 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -100.47 115.51 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.57 -79.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.946 0.778 . . . . 0.0 110.865 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.05 13.62 1.11 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.671 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -124.03 132.97 53.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.594 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -88.15 120.34 29.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.51 127.85 48.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.33 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -83.66 114.55 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -176.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 20' ' ' LEU . 15.6 m -123.5 150.41 27.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.196 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.33 155.08 34.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -67.57 -17.62 64.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.276 0.56 . . . . 0.0 110.405 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 37.9 tt0 -67.27 -17.37 64.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.685 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 92.85 51.91 2.2 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.487 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' HE1' ' SG ' ' A' ' 100' ' ' CYS . 66.0 m-85 -141.02 135.28 30.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' HA ' HG12 ' A' ' 14' ' ' VAL . 55.8 tp -65.59 114.7 5.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 t -86.98 -19.75 28.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.337 0.589 . . . . 0.0 110.313 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -106.5 92.03 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.393 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD21 ' O ' ' A' ' 104' ' ' GLY . 68.3 mt -81.88 105.06 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -167.28 -33.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -124.01 -86.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.61 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.3 t90 69.57 110.09 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.523 0.729 . . . . 0.0 111.646 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -117.94 156.88 49.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.686 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.42 -31.04 76.02 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.956 2.438 . . . . 0.0 112.556 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.72 -34.95 72.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.491 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 5' ' ' ILE . 88.0 t -57.63 -48.02 84.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.372 . . . . 0.0 110.494 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.37 -49.11 72.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.8 t -65.04 -36.96 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.054 0.454 . . . . 0.0 110.734 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.5 ttm -65.35 -50.73 64.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 -27.02 68.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.787 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -64.49 -35.62 81.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.94 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.81 -35.62 51.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -77.97 -7.54 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.57 32.31 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 109.798 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.2 tp -107.28 151.55 25.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.333 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -85.21 143.66 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.789 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.7 mt -117.92 90.52 3.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.007 172.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.1 p -91.1 -177.71 4.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.067 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.81 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.091 0.472 . . . . 0.0 109.897 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 tp10 -72.22 -49.18 37.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 50' ' ' ILE . 70.3 m80 -61.54 -50.76 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.935 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -59.68 -33.0 71.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.34 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.06 -48.46 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 45' ' ' GLU . 42.5 mm -63.2 -43.1 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.4 mt -57.3 -51.55 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.747 178.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -68.89 -35.78 77.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.68 -40.24 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.73 HD21 HD13 ' A' ' 69' ' ' LEU . 18.7 mt -64.64 -42.26 95.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.132 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -63.39 -44.83 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.639 -0.424 . . . . 0.0 109.951 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.04 -49.35 73.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.896 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -61.8 -38.0 86.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.662 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 60.6 t80 -74.04 -41.11 62.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.242 -177.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.12 -22.28 60.57 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.277 -0.265 . . . . 0.0 111.42 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -94.44 -58.82 2.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -84.88 -21.45 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 84.5 mm-40 65.54 20.05 11.6 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.152 -176.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.5 mt -117.54 139.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -99.34 109.98 56.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.16 129.31 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.055 2.503 . . . . 0.0 113.28 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.91 -173.96 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.196 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.59 -35.47 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -174.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.21 -12.12 55.36 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.63 -41.33 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.963 0.411 . . . . 0.0 110.804 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.73 HD13 HD21 ' A' ' 53' ' ' LEU . 56.5 tp -59.71 -39.54 84.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -178.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -59.22 -44.42 92.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 111.416 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.99 -42.11 97.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.39 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.253 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.2 -39.19 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.529 ' HA2' ' HA ' ' A' ' 80' ' ' GLU . . . -61.61 -31.77 79.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.049 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -88.3 -21.92 24.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -77.43 -42.43 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.766 ' HG ' ' HE2' ' A' ' 81' ' ' LYS . 3.8 mm? -79.67 1.2 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.267 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.96 -58.98 4.99 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.27 149.47 21.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.529 ' HA ' ' HA2' ' A' ' 74' ' ' GLY . 2.0 mp0 -71.54 68.85 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.208 0.528 . . . . 0.0 110.038 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.766 ' HE2' ' HG ' ' A' ' 77' ' ' LEU . 40.1 ttpt -71.34 -40.99 70.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.798 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.3 46.82 2.84 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.663 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.54 -48.09 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.4 p -161.31 -72.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -54.11 -42.31 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 12.0 t80 -64.01 -47.02 81.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.414 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.494 HD23 HD12 ' A' ' 90' ' ' LEU . 36.7 mt -68.82 -31.11 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.612 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -74.61 -24.15 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m -82.16 -32.38 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.811 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 87' ' ' LEU . 89.4 mt -68.12 -46.36 71.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.222 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.686 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 52.1 m-85 -129.07 92.29 39.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.88 -16.37 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.285 2.657 . . . . 0.0 113.303 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -96.69 13.5 28.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.429 0.633 . . . . 0.0 109.785 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.59 114.21 2.12 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.409 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.564 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 77.2 Cg_exo -50.8 -60.1 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.106 2.537 . . . . 0.0 112.348 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.32 79.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -57.36 -54.02 51.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.037 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 14.7 mm100 -79.12 -30.54 43.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.397 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.72 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 28.6 p -70.68 -29.79 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.268 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.544 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 58.7 ttt85 -49.52 -52.44 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.884 175.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.422 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . 22.8 m-85 -81.23 -25.7 36.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 100' ' ' CYS . . . -75.15 -16.39 60.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.514 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.438 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.63 1.94 63.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.472 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 68.0 mt -80.28 117.87 69.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 110.147 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.95 80.22 2.69 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.512 . . . . 0.0 114.094 -172.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HD2' ' OE1' ' A' ' 17' ' ' GLU . 80.0 tttt 64.56 92.03 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.359 166.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.546 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 54.5 Cg_endo . . . . . 0 N--CA 1.457 -0.639 0 C-N-CA 123.948 3.099 . . . . 0.0 112.463 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.234 0.247 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -143.01 129.12 19.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.61 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' A' ' 12' ' ' PHE . 32.6 pt -99.4 128.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.42 108.89 21.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.902 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.1 t -115.31 98.02 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.601 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.41 -65.3 0.3 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.639 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.34 0.73 0.95 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.184 -1.007 . . . . 0.0 113.501 -176.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -130.82 136.21 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.409 0.604 . . . . 0.0 111.312 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -93.79 113.1 25.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.573 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.402 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.5 m-85 -91.45 118.93 30.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.504 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 157.94 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.244 0.545 . . . . 0.0 111.37 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.5 166.61 18.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.412 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.73 -20.0 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 0.18 56.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.774 174.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.47 22.64 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.613 175.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -99.75 137.32 38.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.19 0.495 . . . . 0.0 110.444 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 61.1 tp -71.16 117.79 13.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 109.923 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 t -91.81 31.67 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.057 0.456 . . . . 0.0 110.671 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -159.33 88.3 0.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.971 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD11 ' HD3' ' A' ' 106' ' ' PRO . 65.9 mt -81.79 96.82 7.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.239 0.542 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -164.48 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.871 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.03 -88.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.548 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.462 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 87.3 t90 58.82 102.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.424 0.631 . . . . 0.0 111.32 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 29.4 m -96.43 160.64 29.17 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 173.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 9.6 Cg_endo -53.37 -33.14 65.14 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.514 2.143 . . . . 0.0 111.979 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.66 -31.14 63.37 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.904 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.97 -50.24 81.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.985 0.392 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 -42.45 87.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 32.9 t70 -61.46 -49.7 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.089 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 79.7 t -66.57 -39.17 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 0.0 110.686 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.06 -51.02 71.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.098 0.475 . . . . 0.0 110.482 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.97 74.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 13.5 ttmm -61.66 -33.49 74.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 25.8 mt-30 -60.97 -34.62 75.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.53 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' CG ' HH12 ' A' ' 101' ' ' ARG . 4.2 m-20 -89.97 0.25 57.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.536 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 67.49 19.74 9.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.708 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.09 131.47 35.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.45 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.57 126.88 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -86.26 117.96 25.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.5 p -98.78 -170.74 1.98 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.191 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.72 -50.32 66.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.187 0.518 . . . . 0.0 110.788 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 49' ' ' ILE . 14.9 mp0 -66.72 -36.47 82.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.06 -178.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -62.57 -52.61 62.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.579 0.228 . . . . 0.0 110.714 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -59.16 -37.88 78.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.39 -48.96 75.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.099 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.1 mm -62.5 -46.56 96.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.926 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.0 -47.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.779 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 62.9 t30 -63.66 -44.17 94.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.461 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.57 -39.96 77.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.836 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.662 HD21 HD13 ' A' ' 69' ' ' LEU . 18.6 mt -62.32 -42.9 99.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.407 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 55.0 ttt180 -63.73 -46.42 85.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 17.8 mm-40 -52.29 -50.44 62.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.397 0.618 . . . . 0.0 110.666 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.96 -47.53 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.063 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.26 -31.28 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.703 0.287 . . . . 0.0 111.547 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.52 -27.98 62.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 110.404 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -91.04 -49.37 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.506 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -90.53 -25.43 20.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.66 23.48 13.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.469 0.652 . . . . 0.0 110.069 -170.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.17 128.37 73.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.979 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.39 116.13 66.05 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.597 0.236 . . . . 0.0 110.451 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.68 126.5 17.62 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.833 2.355 . . . . 0.0 112.732 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.94 -175.61 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.138 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.0 t -56.26 -48.81 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.632 0.253 . . . . 0.0 111.569 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.0 -45.33 86.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.994 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.159 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD13 HD21 ' A' ' 53' ' ' LEU . 59.5 tp -64.18 -51.53 63.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.1 m -59.43 -37.83 79.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.5 -39.33 93.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.951 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.62 -42.07 64.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.654 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 69' ' ' LEU . 95.6 t -58.94 -37.47 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.53 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -64.74 -15.56 60.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.242 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -109.15 -32.41 7.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.84 0.32 . . . . 0.0 111.231 177.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 76' ' ' LYS . 2.2 tmtp? -64.91 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.4 mm? -86.52 14.68 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.089 0.471 . . . . 0.0 110.796 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.34 -103.63 2.07 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.694 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -132.72 12.68 4.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.989 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 81' ' ' LYS . 14.5 tt0 -136.17 164.61 27.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.963 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 80' ' ' GLU . 62.7 mttp 74.1 -56.89 0.63 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.407 0.683 . . . . 0.0 112.623 173.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.53 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -54.89 103.55 0.21 Allowed Glycine 0 CA--C 1.519 0.328 0 O-C-N 123.205 0.316 . . . . 0.0 113.527 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.04 160.69 39.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 p -61.77 -43.82 98.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.982 0.42 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.2 -37.92 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.559 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' OH ' ' HG2' ' A' ' 45' ' ' GLU . 74.2 t80 -63.02 -42.66 99.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.786 -177.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 3.9 mm? -65.6 -37.47 86.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.13 -24.93 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 111.035 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.7 m -82.1 -20.48 38.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 110.547 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 95.4 mt -82.31 -50.14 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.785 174.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 35.6 m-85 -127.63 97.19 31.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.988 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.33 -26.96 55.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.032 2.488 . . . . 0.0 113.128 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -90.74 27.21 1.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.143 0.497 . . . . 0.0 110.673 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.45 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 107.78 114.49 3.83 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.885 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.2 Cg_endo -50.83 -64.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.281 2.654 . . . . 0.0 112.714 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.2 61.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -63.45 -54.86 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.322 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.563 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 10.5 mm-40 -67.17 -44.77 78.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.877 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.926 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.6 p -65.81 -37.71 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.413 HH12 ' CG ' ' A' ' 38' ' ' ASP . 40.7 ttt180 -58.41 -46.61 86.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.28 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -67.74 -29.29 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.13 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.82 -10.09 49.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.926 0.393 . . . . 0.0 111.258 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 80.76 21.87 62.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.647 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 71.7 mt -84.27 143.81 42.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.624 0.25 . . . . 0.0 110.849 -178.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 105' ' ' LEU . 24.7 Cg_exo -63.23 163.48 23.02 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.709 2.273 . . . . 0.0 111.508 174.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.493 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 93.8 mttt -63.73 112.74 7.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.476 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 11.2 Cg_exo . . . . . 0 C--N 1.344 0.34 0 C-N-CA 123.274 2.649 . . . . 0.0 112.487 -176.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 p -123.24 116.96 24.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.404 HD11 HG13 ' A' ' 30' ' ' VAL . 33.2 pt -89.15 131.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -103.8 99.62 9.4 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.452 HG22 HG21 ' A' ' 33' ' ' VAL . 47.6 t -94.18 113.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.583 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 68.66 -74.36 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.811 0.694 . . . . 0.0 110.396 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.87 20.1 0.43 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -120.09 122.5 41.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -90.89 115.09 27.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.388 . . . . 0.0 110.624 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.29 127.91 50.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.37 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.42 123.03 25.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.728 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 20' ' ' LEU . 27.3 m -128.89 143.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.52 162.94 26.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.01 -16.34 63.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.35 -8.35 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.692 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.86 17.88 33.95 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.133 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.553 ' OH ' ' HG3' ' A' ' 97' ' ' LYS . 76.3 m-85 -94.57 125.77 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.083 0.441 . . . . 0.0 111.492 -177.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.554 ' HA ' HG12 ' A' ' 14' ' ' VAL . 62.2 tp -58.38 117.85 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -95.95 12.12 31.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -138.94 92.15 2.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.649 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -84.49 93.63 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.056 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -146.94 -62.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.7 -81.13 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.3 t90 65.8 109.43 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.824 0.85 . . . . 0.0 112.147 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.36 157.63 38.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.641 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.72 -26.44 56.3 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.892 2.395 . . . . 0.0 112.244 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.47 -36.02 90.25 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.181 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 5' ' ' ILE . 57.4 t -59.09 -42.18 85.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 121.009 0.433 . . . . 0.0 110.241 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.92 70.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.937 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.38 -42.44 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.69 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.452 HG21 HG22 ' A' ' 7' ' ' VAL . 77.7 t -60.69 -41.95 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.279 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.9 mtm -75.5 -34.08 60.82 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.645 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.52 91.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.241 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -60.88 -37.72 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.86 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -69.63 -27.51 65.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.76 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.42 -6.37 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.572 0.701 . . . . 0.0 109.752 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.9 42.49 12.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.713 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -113.74 122.86 48.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.41 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.14 120.62 26.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.279 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -83.64 105.98 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.496 HG22 ' OE2' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.96 175.54 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.308 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' OE2' HG22 ' A' ' 43' ' ' THR . 1.8 mp0 -58.07 -38.04 75.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.309 0.504 . . . . 0.0 110.732 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.96 -38.58 91.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.076 0.465 . . . . 0.0 110.359 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.561 ' O ' HG12 ' A' ' 50' ' ' ILE . 63.1 m80 -64.97 -48.15 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -60.29 -29.81 69.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.012 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.03 -49.25 76.76 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.67 -44.34 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.832 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 46' ' ' HIS . 48.2 mm -59.12 -49.49 83.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HZ ' ' HB1' ' A' ' 72' ' ' ALA . 86.6 t80 -59.76 -44.55 93.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.466 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 69' ' ' LEU . 24.0 mt -68.79 -29.11 67.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.2 -53.2 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.34 -34.09 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.918 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.88 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.1 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -75.43 -32.56 60.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.519 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.47 -47.48 72.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.84 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -95.17 -58.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.777 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -73.21 -23.21 60.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -172.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 59.12 35.08 23.64 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.937 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -140.71 141.38 32.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.43 56.88 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.61 148.29 32.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.42 2.08 . . . . 0.0 113.002 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.76 -177.27 6.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG22 ' HG2' ' A' ' 95' ' ' PRO . 75.3 t -56.73 -54.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.963 -174.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.08 -39.42 79.08 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.156 -0.217 . . . . 0.0 110.825 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -48.55 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 53' ' ' LEU . 59.1 tp -63.25 -48.86 76.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.981 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -59.78 -37.51 79.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.099 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -64.66 -39.56 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.006 0.432 . . . . 0.0 110.068 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -71.34 -36.7 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.572 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.597 HG13 HD23 ' A' ' 77' ' ' LEU . 79.6 t -62.51 -45.2 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.01 -20.4 66.81 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.511 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -77.44 -31.21 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.762 0.315 . . . . 0.0 110.491 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -96.63 -50.12 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.343 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.597 HD23 HG13 ' A' ' 73' ' ' VAL . 3.7 mm? -78.77 -14.41 59.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 0.0 111.134 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.78 153.23 28.24 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.632 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -71.65 -14.8 62.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.252 0.549 . . . . 0.0 110.461 -177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.87 -9.72 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.336 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -124.62 -38.31 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.76 79.82 1.53 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.234 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.571 ' O ' ' HB3' ' A' ' 86' ' ' TYR . 18.6 t-20 -100.13 164.6 11.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -64.36 -43.58 94.09 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.324 0.583 . . . . 0.0 110.07 176.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.01 -26.25 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.98 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' HB3' ' O ' ' A' ' 83' ' ' ASN . 90.7 t80 -60.49 -42.34 96.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.728 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.941 178.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -67.85 -28.03 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 111.033 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.1 t -71.04 -42.03 70.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.26 -46.05 52.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 0.0 110.805 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.663 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 71.6 m-85 -128.2 98.46 26.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.5 -45.88 3.2 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.864 2.376 . . . . 0.0 113.354 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -83.12 59.36 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.635 0.731 . . . . 0.0 110.268 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 88.75 104.87 1.02 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.854 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.754 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.5 Cg_endo -49.34 -56.93 2.69 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.32 2.68 . . . . 0.0 112.995 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.47 -37.91 59.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.553 ' HG3' ' OH ' ' A' ' 19' ' ' TYR . 56.6 tttp -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.32 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.7 mm-40 -66.99 -51.85 49.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.71 87.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.986 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 14.0 p -69.24 -36.49 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.348 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -47.16 84.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.633 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.497 ' HB2' HD12 ' A' ' 50' ' ' ILE . 21.4 m-85 -68.96 -30.52 68.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.914 0.388 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.72 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.985 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.62 10.12 86.47 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.469 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.669 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 89.6 mt -80.63 157.69 71.92 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.422 0.153 . . . . 0.0 110.597 -176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.17 -174.27 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.938 2.425 . . . . 0.0 112.74 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.56 116.05 54.79 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.398 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.5 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 89.5 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 C-N-CA 122.982 2.455 . . . . 0.0 112.64 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.689 0.28 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 13' ' ' ALA . 34.0 p -132.67 129.25 38.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.452 HD11 HG13 ' A' ' 30' ' ' VAL . 29.9 pt -98.03 134.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.54 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.28 104.15 16.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 110.153 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.18 92.84 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.82 42.09 10.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.73 0.776 . . . . 0.0 110.266 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.51 -18.55 51.99 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.925 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -91.0 121.63 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.4 131.18 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 0.0 112.169 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -119.95 117.17 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.719 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.42 125.73 27.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -120.33 157.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.272 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.76 157.4 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.74 -17.96 64.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.954 0.407 . . . . 0.0 110.644 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 mm-40 -86.58 2.56 47.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.563 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.87 -14.48 60.18 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.915 172.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -77.36 134.88 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.165 0.483 . . . . 0.0 109.988 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.024 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 69.0 tp -59.08 131.86 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.513 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.2 t -103.16 0.75 32.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.85 107.0 9.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.5 mt -99.55 24.4 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.278 0.561 . . . . 0.0 110.267 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.96 -30.78 28.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.175 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -130.3 -79.63 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.079 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.8 t90 69.31 124.48 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.865 0.84 . . . . 0.0 112.026 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.2 159.77 68.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.354 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.55 -32.32 63.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.5 66.48 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.087 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 5' ' ' ILE . 88.8 t -60.89 -50.2 81.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.865 0.332 . . . . 0.0 110.446 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.63 -36.5 78.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.729 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 20.9 t70 -61.7 -52.41 64.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.53 -39.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 46.3 ttm -65.17 -54.24 32.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.213 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.92 69.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 27.2 ttmt -62.69 -36.55 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.142 177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -69.18 -37.12 78.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.107 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.97 -2.39 43.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.026 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 64.16 31.45 13.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -105.22 122.16 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -82.18 109.45 16.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.13 113.59 20.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.6 p -96.63 -173.49 2.76 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.26 -38.73 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 49' ' ' ILE . 57.1 mp0 -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -65.6 -49.42 68.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.99 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -56.68 -39.85 74.52 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.07 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.16 -45.74 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 51.5 mm -65.15 -43.45 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.809 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.41 -52.06 65.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.232 0.539 . . . . 0.0 110.429 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -61.14 -39.52 90.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.713 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 34.6 t80 -60.79 -42.46 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.885 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 53' ' ' LEU . 27.4 mt -61.67 -36.9 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.307 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.77 -54.99 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.703 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -45.35 93.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.373 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.81 -44.83 90.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.927 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.86 -42.69 63.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.73 -22.53 61.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 111.042 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.89 -59.1 2.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.82 -8.04 55.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.934 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 60.69 37.21 19.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 111.612 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.7 tt -144.92 134.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.87 116.09 65.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.63 127.77 9.03 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.236 1.958 . . . . 0.0 113.359 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.96 175.52 5.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.805 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.07 -44.97 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.91 0.386 . . . . 0.0 111.267 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -68.96 -19.78 64.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.344 -177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.0 t -94.52 -37.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.208 0.528 . . . . 0.0 110.613 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 73' ' ' VAL . 42.1 tp -61.93 -37.49 84.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.831 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 p -58.51 -36.84 74.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 111.391 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -73.85 -39.31 64.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.734 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.41 82.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.101 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 69' ' ' LEU . 95.5 t -62.85 -38.54 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.85 -17.74 73.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.88 -28.26 19.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.27 . . . . 0.0 110.839 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 62.1 tttm -96.57 -55.17 3.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.273 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.9 tp -76.68 -62.41 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.439 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.51 142.7 4.65 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.644 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -66.81 -26.77 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.968 0.414 . . . . 0.0 110.925 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -76.78 -27.24 55.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.28 -4.37 25.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.587 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.83 69.3 3.08 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.078 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -61.76 -36.88 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.323 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -63.17 -36.38 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.601 -177.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.15 -37.49 87.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 43.3 mt -72.58 -33.06 66.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -71.92 -24.09 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.403 . . . . 0.0 110.4 174.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 m -76.51 -30.29 57.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.9 mt -77.06 -55.35 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.868 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.584 ' HB3' ' HG3' ' A' ' 98' ' ' GLN . 62.7 m-85 -122.21 106.45 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 -177.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.82 -22.27 23.81 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.834 2.356 . . . . 0.0 113.006 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -96.37 17.21 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 104.5 108.82 3.34 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.696 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.3 Cg_endo -49.41 -45.45 30.51 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.566 2.844 . . . . 0.0 113.333 -176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.286 0.366 . . . . 0.0 111.516 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 40.8 mttp -56.37 -43.48 79.22 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.584 ' HG3' ' HB3' ' A' ' 91' ' ' PHE . 23.5 mm-40 -65.42 -56.32 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 0.0 111.21 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.816 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -65.45 -37.32 86.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 22.7 ttt180 -52.62 -52.45 55.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.881 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -76.45 -25.03 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.4 -13.15 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.474 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 1.024 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 98.79 10.31 50.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.0 mt -96.71 131.98 27.04 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 120.665 0.269 . . . . 0.0 110.287 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.24 -171.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.565 2.177 . . . . 0.0 111.899 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -65.82 109.24 2.9 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.072 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 C-N-CA 123.31 2.674 . . . . 0.0 112.812 -176.416 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.672 0.273 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 1.9 p -133.58 121.89 22.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.869 0.366 . . . . 0.0 110.401 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 12' ' ' PHE . 30.5 pt -89.85 127.22 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.403 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 44.7 tt0 -91.08 106.68 18.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.03 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.49 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 63.93 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.789 0.68 . . . . 0.0 111.273 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.38 22.98 2.86 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.127 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 99.8 mttt -121.13 142.56 49.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -110.18 107.14 16.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.951 0.405 . . . . 0.0 110.068 174.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.7 m-85 -93.78 116.5 28.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.69 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.41 107.99 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 35.2 m -115.25 168.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.671 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.0 179.66 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.46 -42.92 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -168.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -89.22 6.52 39.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.7 65.55 1.05 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.035 176.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -142.53 119.65 11.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 2.4 pt? -73.55 119.49 17.85 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.557 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.86 -18.95 61.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.859 -174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.04 91.79 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.89 85.5 6.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.339 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -158.01 -69.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.01 43.12 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.247 0.546 . . . . 0.0 111.388 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -66.51 118.11 9.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.45 160.87 40.04 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.6 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.87 -36.19 62.49 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.89 2.394 . . . . 0.0 112.673 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -35.43 66.98 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.728 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.41 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.005 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -58.78 -51.28 70.66 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.775 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 90.3 t -64.59 -40.36 88.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.16 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.625 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -66.72 -27.91 68.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.232 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.82 -26.39 63.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 33' ' ' VAL . 15.6 mm100 -75.15 -45.43 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.66 -14.51 56.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 0.0 110.533 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 67.55 70.82 0.35 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.997 0.903 . . . . 0.0 110.775 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.625 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 9.5 tt -152.54 107.55 3.23 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.242 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.56 119.23 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.989 -173.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.07 109.97 8.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.472 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 44' ' ' GLU . 1.3 m -101.39 -178.15 3.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.622 ' H ' HG22 ' A' ' 43' ' ' THR . 56.1 mt-10 -52.94 -42.93 65.9 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.685 0.279 . . . . 0.0 111.653 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 49' ' ' ILE . 8.4 mp0 -60.14 -46.08 90.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -65.26 -47.38 76.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.092 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -59.03 -39.32 81.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.402 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.93 -40.54 97.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.7 mm -71.3 -45.11 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 103' ' ' ALA . 92.9 mt -62.9 -47.53 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.229 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -67.55 -32.56 73.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.22 -45.8 91.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.971 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.641 HD21 HD13 ' A' ' 69' ' ' LEU . 46.4 mt -63.99 -37.89 89.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 54' ' ' ARG . 8.1 ttt180 -56.54 -55.99 26.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 176.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 58' ' ' GLU . 35.5 mt-10 -72.3 -24.39 61.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.348 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.11 -44.03 96.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.392 0.615 . . . . 0.0 109.36 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -73.56 -34.81 65.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.797 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.538 ' HB3' ' HA ' ' A' ' 55' ' ' GLU . 11.2 tp10 -56.82 -47.86 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.588 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -84.21 -56.09 3.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -92.15 -13.43 30.68 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -169.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.77 28.72 18.23 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.1 tt -135.67 141.18 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.742 0.306 . . . . 0.0 110.553 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.39 116.36 65.89 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.863 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.75 132.9 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.351 2.034 . . . . 0.0 112.651 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.38 172.26 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.635 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.87 -47.28 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.305 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 67' ' ' ARG . 43.6 mtp-105 -59.74 -44.58 93.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.26 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.32 -41.74 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.641 HD13 HD21 ' A' ' 53' ' ' LEU . 58.1 tp -61.97 -39.06 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -57.08 -36.36 70.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.009 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -83.6 -42.97 16.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.746 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.75 88.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.48 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.727 HG13 HD23 ' A' ' 77' ' ' LEU . 1.1 t -65.98 -22.91 31.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.47 -48.15 66.25 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.065 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -65.99 -17.08 64.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.758 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -87.5 -35.14 18.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.921 0.391 . . . . 0.0 110.375 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.727 HD23 HG13 ' A' ' 73' ' ' VAL . 4.6 mm? -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.79 -127.14 7.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.028 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -121.72 -24.47 5.28 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.585 -0.362 . . . . 0.0 110.089 175.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.13 -62.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.112 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 77' ' ' LEU . 62.2 mttp -88.88 -171.49 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -174.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 86' ' ' TYR . . . 111.93 -122.88 6.16 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -168.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 66.23 170.02 0.23 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.324 0.583 . . . . 0.0 111.705 169.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 p -85.47 -44.95 12.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.747 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.47 -41.97 86.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.502 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 54.4 t80 -59.0 -44.82 91.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.839 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 50.2 mt -72.57 -30.74 64.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -71.62 -34.95 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.973 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -73.65 -18.89 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.426 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 56.4 mt -79.81 -54.21 6.06 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.66 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 67.4 m-85 -123.46 104.04 34.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.99 -42.39 30.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.321 2.681 . . . . 0.0 113.824 -173.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.68 -1.04 25.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.778 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.47 122.0 2.26 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.839 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 66.2 Cg_exo -50.82 -62.29 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.393 2.728 . . . . 0.0 112.892 -175.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.45 -36.88 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.122 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.26 -50.46 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.628 -173.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 15.6 mm100 -68.85 -41.26 78.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.791 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.9 88.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.76 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.3 p -69.22 -26.06 64.62 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.63 -40.09 92.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.263 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.86 -29.87 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.483 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -79.2 -16.25 56.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.151 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.497 ' HA3' ' CD2' ' A' ' 20' ' ' LEU . . . 85.26 8.69 81.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.786 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.76 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 93.4 mt -74.16 142.22 78.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.539 0.209 . . . . 0.0 110.616 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.46 134.5 61.59 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.342 2.028 . . . . 0.0 111.158 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -51.07 114.24 4.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 O-C-N 123.74 0.65 . . . . 0.0 111.81 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 C--N 1.343 0.27 0 C-N-CA 123.269 2.646 . . . . 0.0 112.424 -177.756 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 69.9 mtm . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.09 131.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.016 0.823 . . . . 0.0 109.811 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.41 162.88 25.29 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.777 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 p -113.73 133.42 55.36 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.422 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.455 HD11 HG13 ' A' ' 30' ' ' VAL . 35.4 pt -89.72 163.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.475 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -106.4 110.31 22.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.022 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.4 112.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.06 22.8 13.04 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.383 0.427 . . . . 0.0 111.165 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.74 85.39 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.897 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.83 141.59 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -94.91 107.54 19.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -99.19 132.2 44.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.1 118.03 21.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.293 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 20' ' ' LEU . 25.2 m -124.62 151.77 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.717 176.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.48 150.86 48.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 30.2 tt0 -64.92 -17.08 64.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -174.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.9 -11.34 59.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.3 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 96.47 39.31 4.23 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.162 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 79.8 m-85 -129.23 120.43 25.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.531 ' HA ' HG12 ' A' ' 14' ' ' VAL . 54.2 tp -57.4 120.1 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.993 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -93.78 -33.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 110.202 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -79.52 82.17 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.608 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -85.76 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.727 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.23 7.9 40.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.356 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -159.37 -86.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.853 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.7 t90 67.53 109.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.417 0.687 . . . . 0.0 111.399 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.43 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.9 m -116.13 163.35 21.84 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.669 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 52.3 Cg_exo -53.65 -34.35 73.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.726 2.284 . . . . 0.0 112.574 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -59.6 -34.64 82.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.348 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 5' ' ' ILE . 91.1 t -59.57 -51.67 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.035 0.445 . . . . 0.0 110.339 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.79 -46.51 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 29' ' ' GLY . 81.5 t -64.12 -36.57 77.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.918 0.39 . . . . 0.0 110.926 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.466 ' HE3' ' HA ' ' A' ' 102' ' ' PHE . 69.4 mtm -71.37 -31.65 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.829 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -72.22 -39.27 68.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.47 -37.83 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.074 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.16 -14.37 61.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.61 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.34 -10.71 16.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.121 0.486 . . . . 0.0 109.96 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.44 33.95 8.43 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.934 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 8.0 tt -108.63 123.91 49.68 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.75 0.31 . . . . 0.0 110.359 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -105.24 106.44 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.515 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -92.04 -175.55 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.8 -26.41 68.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -66.15 -48.27 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.918 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 50' ' ' ILE . 75.1 m80 -63.41 -48.71 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.524 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.25 -32.44 72.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.901 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.3 -43.36 86.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -69.36 -43.31 81.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.109 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 46' ' ' HIS . 86.9 mt -59.98 -48.6 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.567 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.07 -35.02 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.85 -52.67 64.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 69' ' ' LEU . 68.8 mt -62.19 -39.95 94.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.727 0.299 . . . . 0.0 111.095 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 tpt85 -57.52 -50.62 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.456 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.24 -47.91 66.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.885 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.5 -48.86 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.982 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -66.86 -35.4 79.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 110.673 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.22 -37.68 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.672 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.3 -41.27 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -94.0 -20.58 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 66.67 18.38 10.72 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.502 0.501 . . . . 0.0 110.72 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -116.87 134.08 61.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.191 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.56 111.48 61.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.32 118.59 5.7 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.744 2.296 . . . . 0.0 112.718 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.03 177.03 4.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.941 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.66 -34.79 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.708 0.29 . . . . 0.0 111.485 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 67' ' ' ARG . 12.8 mmt180 -68.79 -30.92 69.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -86.94 -46.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.745 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 53' ' ' LEU . 50.8 tp -53.55 -48.81 68.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -56.93 -34.92 68.47 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.713 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.49 -49.53 18.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.375 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.78 80.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.776 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.84 -31.74 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' H ' ' A' ' 82' ' ' GLY . . . -59.48 -41.76 97.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.414 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -83.83 -37.37 22.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.421 . . . . 0.0 111.008 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -69.28 -57.33 5.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.551 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -68.87 -43.14 75.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.609 -171.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -159.34 -135.43 1.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.302 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -91.39 -54.16 4.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 0.0 110.667 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.08 35.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.35 0.595 . . . . 0.0 109.559 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -70.68 -14.9 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.305 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.405 ' H ' ' HA2' ' A' ' 74' ' ' GLY . . . -76.54 80.38 1.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.208 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -113.58 146.56 39.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.594 0.235 . . . . 0.0 110.49 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.419 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 8.1 m -57.68 -47.77 81.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.136 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.23 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -61.52 -43.97 97.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.769 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.75 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.0 mm? -64.92 -39.31 93.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.248 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 84' ' ' SER . 35.6 m-85 -72.77 -21.61 60.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 111.471 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 m -81.57 -22.09 38.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.045 0.45 . . . . 0.0 110.351 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.05 -47.07 8.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.56 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.3 m-85 -121.57 92.55 48.71 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.193 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.03 -4.96 16.14 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 123.146 2.564 . . . . 0.0 113.026 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -97.32 -15.29 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 138.68 102.39 0.56 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.75 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 1.3 Cg_endo -41.55 -70.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 124.371 3.381 . . . . 0.0 114.809 -170.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.23 90.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.44 -39.17 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.207 0.527 . . . . 0.0 110.844 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -74.82 -38.59 62.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.98 70.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 21.9 p -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.741 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 16.0 ttt180 -53.07 -49.33 66.61 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.29 0.369 . . . . 0.0 110.983 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.466 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 22.8 m-85 -76.61 -29.38 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 111.305 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.44 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.35 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 84.73 21.33 56.25 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.256 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 66.1 mt -95.86 148.9 35.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.65 167.28 24.74 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.443 2.096 . . . . 0.0 111.744 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.8 ttmt -59.23 112.66 5.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 61.1 Cg_endo -95.02 110.37 0.14 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 123.258 2.638 . . . . 0.0 112.998 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.2 m -125.78 -46.88 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 0.0 109.839 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.73 -174.84 53.18 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.164 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.3 m -92.69 94.51 9.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.871 0.367 . . . . 0.0 110.238 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.441 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 14' ' ' VAL . . . -179.81 173.54 1.0 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.744 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.66 150.12 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -125.79 117.51 23.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.888 0.375 . . . . 0.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' ' 12' ' ' PHE . 31.3 pt -94.18 127.97 45.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.075 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.62 99.34 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.548 . . . . 0.0 109.798 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 60.2 t -122.29 124.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.771 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.49 7.65 6.34 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.357 0.599 . . . . 0.0 110.907 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.95 -3.82 58.8 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 5.0 ttmp? -106.06 132.77 51.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 0.0 110.531 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -80.96 107.94 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 5' ' ' ILE . 87.3 m-85 -91.6 110.66 21.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.749 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.05 121.32 20.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.469 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 20' ' ' LEU . 32.6 m -121.78 144.63 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.833 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.83 165.41 15.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.48 -27.59 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.76 -6.3 48.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.03 39.27 8.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.621 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -126.07 142.93 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.604 0.24 . . . . 0.0 110.612 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.528 ' HA ' HG12 ' A' ' 14' ' ' VAL . 56.0 tp -67.83 114.53 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.156 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -81.29 -23.03 38.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.05 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -105.1 97.26 7.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.532 HD21 ' O ' ' A' ' 104' ' ' GLY . 79.2 mt -97.51 35.87 1.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.193 0.52 . . . . 0.0 110.737 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -71.35 -40.89 70.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.888 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 28.8 t70 -138.5 -64.32 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -174.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.431 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 88.0 t90 71.91 124.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 111.152 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 27.6 m -120.36 157.77 52.79 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.926 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 11.8 Cg_endo -56.18 -31.2 82.79 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.992 2.462 . . . . 0.0 112.468 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.47 -30.49 71.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.692 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 5' ' ' ILE . 92.4 t -62.87 -46.86 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.964 0.411 . . . . 0.0 109.922 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.13 95.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.931 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.03 -36.54 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.226 0.536 . . . . 0.0 110.953 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.454 ' HE3' ' HA ' ' A' ' 102' ' ' PHE . 20.7 ttp -76.9 -20.3 56.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.265 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.38 52.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.004 0.431 . . . . 0.0 110.263 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -63.05 -24.58 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.151 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.93 -32.58 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.18 6.39 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 61.29 23.64 13.84 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.513 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -92.16 111.1 22.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.071 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -74.15 114.62 12.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.905 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 110.15 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.481 . . . . 0.0 110.794 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -91.66 179.39 5.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.135 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.36 -31.91 72.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.461 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.07 -42.45 84.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.949 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -63.88 -49.62 71.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.626 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -61.1 -29.77 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.393 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.88 -41.24 83.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.7 mm -67.62 -43.32 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.4 -44.84 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.274 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.18 -45.74 75.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.13 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 77.8 t80 -57.53 -57.62 11.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.021 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 105' ' ' LEU . 33.9 mt -64.4 -31.88 73.27 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -60.93 2.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -15.67 48.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.552 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -66.56 -44.32 82.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 87.3 t80 -74.94 -33.72 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.06 -48.71 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.729 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -80.63 -46.7 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.747 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -92.07 -26.17 18.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -174.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 86.7 mm-40 64.83 26.68 12.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.357 0.599 . . . . 0.0 110.826 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.5 133.9 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.546 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.41 111.01 64.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.45 140.37 21.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.306 2.004 . . . . 0.0 113.317 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' HB1' ' OXT' ' A' ' 112' ' ' VAL . . . -69.14 175.38 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.297 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 7.8 p -67.11 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.003 -173.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -71.75 -35.11 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 109.938 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.55 -43.96 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.841 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.598 HD13 HD21 ' A' ' 53' ' ' LEU . 57.3 tp -57.95 -46.78 84.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.6 m -59.29 -42.05 90.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -69.69 -27.46 65.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.482 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.37 -34.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.8 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' LEU . 96.0 t -64.24 -35.76 74.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 14.54 4.76 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.303 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -124.5 -13.93 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.023 0.44 . . . . 0.0 110.236 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 57.9 tttm -102.46 -38.84 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' HB3' ' HD3' ' A' ' 81' ' ' LYS . 3.8 mm? -90.59 39.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.423 0.63 . . . . 0.0 110.662 -171.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.38 -89.16 0.72 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.842 ' HE2' ' HA ' ' A' ' 79' ' ' LYS . 6.1 mmpt? -141.08 -82.8 0.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 171.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.32 92.53 4.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.734 0.778 . . . . 0.0 111.826 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' HB3' ' A' ' 77' ' ' LEU . 84.3 tttt -128.37 -53.38 1.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.469 173.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.666 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -94.39 54.21 2.08 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.053 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -82.43 -36.02 27.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.2 t -159.64 -67.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.923 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -52.73 -49.19 65.91 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.535 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.666 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 28.5 t80 -48.67 -50.97 30.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.724 0.64 . . . . 0.0 112.157 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.56 -46.09 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.544 0.202 . . . . 0.0 111.544 -175.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -69.88 -13.51 62.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.302 . . . . 0.0 111.501 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.6 m -88.9 -40.41 13.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.544 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.1 mt -68.65 -43.18 76.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 110.372 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.511 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 21.3 m-85 -129.32 101.84 18.95 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.587 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.66 -51.29 6.32 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.112 2.542 . . . . 0.0 113.526 -174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.27 -56.27 4.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.88 109.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.312 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.511 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.2 Cg_exo -51.83 -51.87 10.23 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.217 2.611 . . . . 0.0 112.421 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 66' ' ' VAL . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.498 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.95 -47.29 85.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.383 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.27 -44.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.64 90.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.233 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.688 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.4 p -66.26 -42.8 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.352 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.6 -50.93 64.58 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-O 120.703 0.287 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.454 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 22.7 m-85 -65.51 -34.09 77.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.25 -175.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . . . -79.31 -6.18 56.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 88.24 0.47 82.7 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.249 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.688 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 20.1 mt -71.76 140.06 83.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.631 0.253 . . . . 0.0 110.792 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.9 147.43 95.49 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.316 2.011 . . . . 0.0 111.035 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 50.3 pttt -53.19 116.09 8.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 O-C-N 123.461 0.476 . . . . 0.0 111.118 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 3.4 Cg_exo -78.79 66.12 8.68 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.3 2.666 . . . . 0.0 112.196 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 p 66.75 -52.76 0.45 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.117 1.367 . . . . 0.0 112.635 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 -0.54 65.86 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.15 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 m -98.15 -11.25 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.51 ' OXT' ' HB1' ' A' ' 65' ' ' ALA . 31.2 t . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.359 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.57 174.48 0.19 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.926 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -158.78 169.84 23.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.272 . . . . 0.0 110.395 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 21.8 p -116.48 125.31 51.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.916 0.389 . . . . 0.0 111.061 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 19.9 pt -89.55 130.54 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.49 177.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -84.06 106.69 15.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.19 103.97 15.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.794 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.18 27.19 16.99 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.073 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.93 -21.9 19.73 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.489 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -109.6 140.8 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.18 0.49 . . . . 0.0 111.369 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.526 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 53.4 mt-30 -99.57 115.66 29.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.759 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.01 130.38 50.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.562 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.03 120.18 23.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.903 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 20' ' ' LEU . 27.1 m -125.86 160.53 32.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.176 176.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.557 ' OD2' ' HB2' ' A' ' 19' ' ' TYR . 18.0 p30 -83.39 173.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.866 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.9 pm0 -77.19 12.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -108.03 -25.21 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 6.71 9.46 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.825 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.557 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 38.4 m-85 -87.7 129.37 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.199 0.499 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 14' ' ' VAL . 51.8 tp -66.53 117.2 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.531 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -91.76 -25.29 19.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.234 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -81.57 75.76 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.28 94.5 8.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -154.98 -49.33 0.09 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.149 -174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -73.42 0.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.862 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.3 t90 66.41 118.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.621 0.724 . . . . 0.0 111.513 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.44 158.23 73.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.36 -34.28 59.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.819 2.346 . . . . 0.0 112.559 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.65 -32.41 61.48 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.664 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.22 -48.72 82.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.621 0.248 . . . . 0.0 110.377 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.28 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 17.1 t70 -62.62 -55.18 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.543 178.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.23 -39.57 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.893 0.377 . . . . 0.0 111.323 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 48.5 ttm -61.32 -49.9 75.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.578 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -68.34 -29.64 68.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.405 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 43.0 tttp -61.8 -45.97 91.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.694 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -78.35 -22.79 47.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.476 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.0 -11.98 54.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.3 t30 65.59 40.31 4.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.526 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 48.6 tp -115.9 103.32 10.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.273 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.85 131.22 44.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.252 0.548 . . . . 0.0 111.13 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.94 109.72 21.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -87.52 -176.18 5.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.058 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.18 -47.01 65.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.429 0.633 . . . . 0.0 110.51 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' ILE . 38.6 mt-10 -69.75 -37.52 76.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.035 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -60.93 -48.06 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.359 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -61.97 -35.76 79.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.397 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.37 -39.03 74.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.536 0.208 . . . . 0.0 111.098 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.8 mm -64.02 -44.81 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.302 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.33 -43.1 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.217 0.532 . . . . 0.0 109.81 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.08 -39.1 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.298 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.63 -47.45 85.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.561 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.14 -36.21 79.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.651 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -54.38 -50.39 67.64 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.663 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.02 -46.18 71.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.5 -46.79 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -67.39 -41.43 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.311 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.03 -33.95 76.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.983 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 -57.98 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.404 ' O ' HG13 ' A' ' 62' ' ' ILE . 79.5 m-85 -87.14 -21.38 26.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 64.66 22.89 12.7 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.649 0.38 . . . . 0.0 111.474 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 60' ' ' TYR . 66.8 mt -123.75 146.23 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.094 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.52 113.03 64.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.12 136.1 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.427 2.084 . . . . 0.0 112.618 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.71 170.08 14.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -32.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.927 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -68.28 -41.54 80.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.72 -39.02 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.277 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.9 tp -60.62 -55.11 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.794 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -57.9 -34.96 70.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.024 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.99 -45.4 89.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.672 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.84 -31.93 63.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.56 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.784 HG13 HD23 ' A' ' 77' ' ' LEU . 53.2 t -54.9 -39.24 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.049 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.0 -15.85 63.32 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.047 -0.597 . . . . 0.0 113.085 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.58 -14.03 16.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -102.55 -50.31 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -173.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.784 HD23 HG13 ' A' ' 73' ' ' VAL . 4.1 mm? -84.82 28.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.746 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.11 -125.06 6.3 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.172 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -146.11 -34.8 0.29 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.77 9.64 36.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.622 0.725 . . . . 0.0 109.911 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -125.45 102.82 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.504 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.89 73.77 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.55 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -139.17 176.73 8.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.749 0.309 . . . . 0.0 110.634 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -72.76 -35.47 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.692 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.47 ' HD3' ' O ' ' A' ' 85' ' ' LYS . 1.7 tmtp? -58.85 -47.85 83.42 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -56.85 -47.71 79.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.783 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 37.4 mt -71.85 -29.01 63.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.804 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.3 -20.99 56.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.796 0.332 . . . . 0.0 111.19 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -74.88 -32.32 61.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.11 -53.62 8.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.525 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 48.4 m-85 -126.83 99.31 29.48 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.086 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.18 -18.38 50.84 Favored 'Trans proline' 0 N--CA 1.472 0.212 0 C-N-CA 123.216 2.611 . . . . 0.0 112.977 -175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -92.7 2.08 56.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 116.78 118.08 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.435 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.783 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.7 Cg_endo -50.89 -54.63 5.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 123.365 2.71 . . . . 0.0 112.999 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.15 -52.72 64.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.825 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -70.13 -44.53 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.342 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.81 92.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.4 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.751 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 16.2 p -66.3 -32.67 74.21 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 101' ' ' ARG . 7.6 ttm180 -55.33 -51.54 66.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.485 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -66.17 -30.75 71.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.298 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . . . -86.92 -3.88 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.349 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 74.4 22.59 77.26 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.834 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.751 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 44.3 mt -87.73 139.23 31.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 O-C-N 122.74 -0.27 . . . . 0.0 110.605 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.0 141.52 86.37 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.749 2.299 . . . . 0.0 111.667 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -47.87 112.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.889 0.743 . . . . 0.0 111.996 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 83.2 Cg_endo -81.14 24.6 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.904 2.403 . . . . 0.0 111.871 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 m -92.62 -9.4 41.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.593 0.711 . . . . 0.0 109.472 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.81 40.69 0.66 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.41 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 108' ' ' PRO . 13.4 p -92.64 137.4 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.724 178.91 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.908 0.385 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.26 130.0 42.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.38 -179.8 5.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 1.6 p -142.54 125.08 15.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.922 0.391 . . . . 0.0 111.434 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.5 132.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.44 110.34 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.406 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.07 113.45 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.333 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 70.36 -70.88 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.934 0.771 . . . . 0.0 111.042 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.25 19.66 0.2 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.5 138.18 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.293 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 91.7 mt-30 -92.9 108.68 20.19 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.73 117.21 29.19 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.1 131.0 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.82 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.66 144.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.2 162.55 16.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.42 -24.56 45.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -98.25 7.92 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.21 49.86 5.08 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.552 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.711 ' HB3' ' HA ' ' A' ' 106' ' ' PRO . 91.5 m-85 -135.41 141.74 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.25 113.98 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 p -93.89 -22.31 18.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.086 0.47 . . . . 0.0 110.379 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -81.34 83.55 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.185 0.517 . . . . 0.0 110.489 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.33 74.58 10.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.144 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -111.68 -59.49 1.98 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.45 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -137.41 -50.49 0.62 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.655 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.2 t90 68.56 120.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.733 0.645 . . . . 0.0 111.035 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.13 150.39 42.39 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.661 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.66 -30.31 55.09 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 113.118 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.42 -26.95 62.58 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.657 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.53 -39.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.173 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.39 86.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.184 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.17 -54.71 42.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.532 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.3 p -66.08 -30.58 50.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.544 ' HG2' ' HG2' ' A' ' 101' ' ' ARG . 32.4 tpp -68.1 -50.84 52.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.37 -45.3 93.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.499 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 53.0 mt-30 -68.47 -38.56 81.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.49 -3.34 52.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.624 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 t30 60.33 56.66 3.13 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.75 0.786 . . . . 0.0 110.287 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -140.6 151.48 44.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.585 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -98.66 161.49 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -123.5 108.25 12.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.105 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -89.86 -174.89 4.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -56.08 -38.99 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.117 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' O ' HG12 ' A' ' 49' ' ' ILE . 45.6 mt-10 -75.6 -38.16 59.24 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.757 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.665 ' CD2' ' HG ' ' A' ' 90' ' ' LEU . 33.4 m80 -60.37 -50.9 71.75 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.556 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -60.36 -32.95 71.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.309 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.95 -49.09 73.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 45' ' ' GLU . 45.9 mm -61.52 -42.13 92.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.825 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' HIS . 91.0 mt -56.27 -52.09 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -67.0 -34.85 78.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.58 -44.29 96.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 69' ' ' LEU . 17.8 mt -64.44 -37.61 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.336 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 54' ' ' ARG . 22.1 ttt180 -60.53 -49.03 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.14 -40.22 96.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.12 -44.83 96.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.911 0.386 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -72.65 -40.63 66.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.801 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.28 -28.44 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.96 -56.59 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -96.11 -10.42 28.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.929 -170.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 62.46 27.74 16.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.712 0.405 . . . . 0.0 111.795 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tt -135.0 142.86 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.787 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.32 116.52 66.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.36 145.02 14.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.357 2.038 . . . . 0.0 113.123 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.0 176.84 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.405 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.88 -49.52 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.822 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -72.46 -33.36 66.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.91 -45.71 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.128 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.2 tp -60.49 -39.79 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.512 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 83' ' ' ASN . 58.0 m -50.86 -50.82 56.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.571 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.02 -30.46 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.032 0.444 . . . . 0.0 111.043 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.32 -36.35 66.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 69' ' ' LEU . 74.8 t -64.3 -39.35 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.611 178.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.93 -44.75 82.42 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.074 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -79.43 -11.15 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.578 -0.366 . . . . 0.0 111.19 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -73.95 -48.58 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.91 -43.93 70.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.226 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.21 -29.31 9.78 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.509 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -111.99 -169.37 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.07 87.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -151.3 87.31 1.38 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.914 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.613 ' HA2' ' HD2' ' A' ' 86' ' ' TYR . . . 139.41 81.85 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.027 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.432 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 27.4 t-20 -148.73 102.08 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t 55.34 -88.57 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -57.19 -29.42 63.67 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.953 0.501 . . . . 0.0 112.071 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.613 ' HD2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -58.72 -43.47 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 70.5 mt -80.28 -31.44 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.005 -176.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -69.53 -33.41 72.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.214 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.665 ' HG ' ' CD2' ' A' ' 46' ' ' HIS . 11.7 tp -67.25 -47.41 70.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 93.7 m-85 -118.08 99.02 51.89 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.435 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.53 -14.1 38.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.021 2.48 . . . . 0.0 112.704 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 41.4 m-85 -103.76 10.05 36.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.046 0.451 . . . . 0.0 110.545 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.96 111.64 2.54 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.831 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.743 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 86.6 Cg_exo -47.4 -66.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.582 2.855 . . . . 0.0 113.409 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.78 -40.62 83.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.759 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -61.46 -46.23 90.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 111.631 -173.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.421 ' HG3' ' HB2' ' A' ' 93' ' ' TYR . 11.6 mm100 -76.81 -42.13 41.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.16 90.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.337 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.748 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 19.7 p -69.55 -37.05 76.87 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.142 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.544 ' HG2' ' HG2' ' A' ' 34' ' ' MET . 26.7 ttm180 -57.75 -43.71 85.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -73.3 -30.46 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.54 -15.42 59.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.459 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.73 12.29 38.08 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.748 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 96.0 mt -93.56 152.39 40.85 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.596 0.236 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.711 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 70.2 Cg_endo -75.08 -166.83 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.076 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.0 tttm -81.24 112.94 37.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.363 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 2.9 Cg_exo -73.75 151.93 46.8 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.831 2.354 . . . . 0.0 112.082 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.2 t -161.88 155.15 20.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.96 163.35 30.08 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.969 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -113.77 -69.63 0.85 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.449 177.304 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HE2' ' HG3' ' A' ' 16' ' ' GLU . 59.0 ttp . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.44 -147.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.165 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.0 t70 -71.44 -173.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.129 0.49 . . . . 0.0 110.914 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -132.15 126.15 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 pt -89.35 144.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.092 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -115.05 119.56 36.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.822 0.344 . . . . 0.0 110.427 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.72 84.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.52 72.62 0.47 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.808 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.76 -36.78 2.65 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.488 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -90.28 120.42 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.86 0.362 . . . . 0.0 110.197 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.9 143.9 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 111.618 -173.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' HE2' ' HB3' ' A' ' 25' ' ' ASP . 93.3 m-85 -128.0 140.45 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -86.67 128.64 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.897 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 3' ' ' ASP . 33.7 m -109.58 168.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 111.798 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.442 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 11.1 t70 -98.71 179.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.856 176.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG3' ' HE2' ' A' ' 1' ' ' MET . 37.2 mt-10 -74.64 -18.56 60.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.608 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 32.7 mt-10 -78.99 -6.81 57.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.609 175.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.17 45.92 5.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.119 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.608 ' CD1' ' HB2' ' A' ' 17' ' ' GLU . 40.7 p90 -137.65 158.55 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.585 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 61.4 tp -67.46 125.37 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.124 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 30.3 t -97.53 -15.84 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -126.11 110.2 13.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.713 0.292 . . . . 0.0 111.558 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD11 HD23 ' A' ' 105' ' ' LEU . 78.6 mt -84.22 76.51 10.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.459 0.647 . . . . 0.0 109.962 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -109.02 7.89 26.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.122 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.549 ' HB3' ' HE2' ' A' ' 12' ' ' PHE . 35.7 t70 179.91 -79.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.325 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.567 ' HE3' HH11 ' A' ' 54' ' ' ARG . 73.6 t90 60.22 104.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.726 0.81 . . . . 0.0 111.891 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.6 m -108.48 162.96 18.07 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.616 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 73.2 Cg_exo -49.97 -38.88 49.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.769 2.313 . . . . 0.0 112.633 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.03 -32.46 66.83 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.898 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.55 -46.9 94.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.56 91.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.716 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.48 -50.67 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.113 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 82.8 t -56.99 -48.25 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.74 0.305 . . . . 0.0 110.512 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.443 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 42.1 ttm -60.62 -49.43 77.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.63 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.164 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 36' ' ' LYS . 3.5 ttmp? -74.26 -26.0 59.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 26.0 mt-30 -64.4 -41.64 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.144 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.887 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.35 61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.937 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 tp -116.71 129.08 55.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -75.13 130.29 38.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.143 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.86 100.51 11.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.578 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -88.18 177.07 6.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 175.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.497 ' H ' HG22 ' A' ' 43' ' ' THR . 10.3 pt-20 -57.77 -34.57 69.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' O ' HG12 ' A' ' 49' ' ' ILE . 41.6 mt-10 -76.23 -30.92 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.289 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -63.53 -49.35 73.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -57.25 -40.93 78.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.935 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.81 -41.79 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.0 mm -62.86 -49.13 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.435 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 103' ' ' ALA . 77.9 mt -59.76 -45.67 94.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 110.367 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.3 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.008 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 83.7 t80 -59.19 -37.92 78.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.878 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.564 ' HB3' HD11 ' A' ' 105' ' ' LEU . 30.1 mt -62.28 -44.81 95.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.567 HH11 ' HE3' ' A' ' 26' ' ' TRP . 5.7 ptm180 -72.46 -22.03 61.14 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.532 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.09 -38.7 51.83 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.022 0.439 . . . . 0.0 110.408 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -66.15 -40.29 90.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -70.19 -36.58 74.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.275 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 7.0 tp10 -59.79 -36.01 75.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.282 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.37 -55.66 3.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.54 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -100.04 -12.07 20.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 61.92 23.86 14.11 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.33 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -114.83 134.93 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.118 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 108.63 59.66 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 128.27 17.5 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.258 1.972 . . . . 0.0 111.98 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.35 178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.34 -52.04 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 110.803 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.88 -38.52 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 110.062 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD13 HD21 ' A' ' 53' ' ' LEU . 54.8 tp -63.99 -30.72 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -56.53 -39.47 73.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.469 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -67.19 -45.74 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -63.34 -44.67 94.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.133 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG11 HD21 ' A' ' 87' ' ' LEU . 96.6 t -65.98 -42.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 80' ' ' GLU . . . -58.55 -37.44 88.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.395 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.24 -40.94 50.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -70.82 -39.8 72.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.021 -174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.443 HD13 HG13 ' A' ' 73' ' ' VAL . 11.0 mp -86.37 -47.51 9.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.187 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.91 146.48 16.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 54.5 40.68 31.99 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.738 0.415 . . . . 0.0 110.798 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 29.9 tt0 68.8 -85.9 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.694 0.622 . . . . 0.0 109.643 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 tptm 66.14 -61.69 0.28 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 111.451 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.94 64.35 3.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.304 -0.474 . . . . 0.0 111.954 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -66.81 162.54 21.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.831 0.453 . . . . 0.0 110.539 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 88' ' ' TYR . 18.0 m -53.07 -41.64 65.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.931 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -73.81 -34.29 64.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 31.6 t80 -67.27 -42.65 83.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.111 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 57.9 mt -75.33 -26.3 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 84' ' ' SER . 6.1 t80 -79.92 -23.03 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.62 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 p -83.63 -24.82 31.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 87' ' ' LEU . 86.4 mt -66.62 -55.17 16.55 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.0 m-85 -131.83 101.37 15.45 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.897 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 91' ' ' PHE . 3.2 Cg_exo -76.75 5.96 4.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.524 2.816 . . . . 0.0 114.048 -172.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.9 16.14 15.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.275 0.56 . . . . 0.0 110.538 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.83 95.45 1.97 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.592 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 66.7 Cg_exo -37.55 -62.01 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 124.357 3.371 . . . . 0.0 114.399 -173.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.748 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' HA ' ' SG ' ' A' ' 100' ' ' CYS . 13.5 tmtt? -71.32 -31.04 66.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.124 0.487 . . . . 0.0 110.857 -173.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.566 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 51.2 tp60 -78.52 -39.08 39.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.443 0.639 . . . . 0.0 109.734 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.29 -39.67 71.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.023 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.765 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.0 p -68.24 -30.81 69.95 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 11.9 ttt180 -53.02 -52.97 56.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.181 171.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.443 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -71.41 -29.59 65.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.388 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -78.1 -13.41 59.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.712 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.585 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 80.4 24.25 59.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.703 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.765 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 57.4 mt -81.62 141.01 47.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.84 134.66 55.5 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.587 2.191 . . . . 0.0 111.491 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -51.22 108.19 0.99 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 123.932 0.77 . . . . 0.0 111.345 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.19 83.55 1.01 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.012 2.475 . . . . 0.0 112.073 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.2 m 73.17 -55.6 0.67 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.258 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.49 -61.59 3.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.477 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.06 119.81 18.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.791 0.329 . . . . 0.0 110.319 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.059 -179.711 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 2.8 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.94 144.84 56.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.37 159.78 32.8 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.338 0.589 . . . . 0.0 111.106 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 13' ' ' ALA . 20.7 p -123.44 151.99 42.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.562 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' ' 12' ' ' PHE . 39.8 pt -111.71 133.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -95.98 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.02 0.438 . . . . 0.0 110.087 -177.548 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.447 HG22 HG21 ' A' ' 33' ' ' VAL . 45.5 t -129.47 122.67 56.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.381 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 69.98 8.15 6.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.089 0.556 . . . . 0.0 111.537 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.66 9.03 59.08 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.49 -174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 52.3 mttt -103.77 152.83 21.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -106.08 107.72 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.831 0.348 . . . . 0.0 110.135 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 5' ' ' ILE . 93.9 m-85 -95.32 108.15 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -73.8 128.86 36.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.88 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.66 155.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.96 159.79 32.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.699 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.75 -21.84 66.13 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.592 0.234 . . . . 0.0 111.598 -176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.08 3.23 46.97 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.57 ' HA3' HH12 ' A' ' 101' ' ' ARG . . . 82.49 39.24 11.08 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.999 -0.619 . . . . 0.0 113.266 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -112.2 136.26 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.782 -0.246 . . . . 0.0 110.397 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 22' ' ' ASN . 62.5 tp -62.59 120.04 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 t -98.76 8.77 44.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 49.6 t-20 -118.32 92.57 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.0 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -96.64 19.75 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.32 -25.76 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.24 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 31.1 t70 -152.67 -67.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.443 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 80.6 t90 69.92 123.08 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.544 0.688 . . . . 0.0 111.036 -173.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.34 157.26 47.67 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.553 175.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.82 -29.87 54.71 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.588 2.192 . . . . 0.0 112.14 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.21 65.33 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.753 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.16 -42.5 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.24 85.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.268 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 21.4 t70 -61.56 -51.84 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.81 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.447 HG21 HG22 ' A' ' 7' ' ' VAL . 85.3 t -65.1 -35.16 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.5 tpp -65.5 -45.52 83.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.054 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.44 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.723 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 68.3 mttm -62.95 -29.22 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -71.53 -35.22 70.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -89.74 -10.95 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.123 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 62.16 26.22 15.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.473 0.654 . . . . 0.0 110.404 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -107.98 108.61 19.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.68 134.1 46.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.077 0.465 . . . . 0.0 110.4 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.95 109.65 20.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -80.57 176.46 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.43 -34.27 70.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -75.15 -35.47 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.602 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -65.07 -48.68 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.281 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -60.72 -31.29 70.59 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.891 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.28 -42.81 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.08 -41.8 84.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.494 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 103' ' ' ALA . 86.5 mt -58.67 -44.76 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.647 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 4.9 t30 -58.89 -45.86 89.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.01 176.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.06 -46.14 82.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 69' ' ' LEU . 16.7 mt -64.55 -35.42 80.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 111.191 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 7.9 mmm180 -68.35 -42.22 79.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.852 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.8 mt-10 -59.81 -43.55 94.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 109.91 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 14.6 t80 -65.59 -46.07 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.968 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -71.86 -39.33 69.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.589 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 1.8 tp10 -66.45 -24.05 66.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.947 0.403 . . . . 0.0 110.368 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.63 -60.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.261 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.45 -18.89 23.48 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 62.58 22.78 13.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.225 0.536 . . . . 0.0 110.78 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.97 135.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -91.52 115.43 64.47 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.217 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 12.8 Cg_exo -69.23 137.21 36.43 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.973 2.448 . . . . 0.0 112.662 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.473 ' HB1' ' HA3' ' A' ' 110' ' ' GLY . . . -74.66 170.84 15.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.22 -34.48 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.732 0.301 . . . . 0.0 111.455 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -72.98 -22.29 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.456 . . . . 0.0 110.929 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.78 -46.79 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 73' ' ' VAL . 57.7 tp -56.38 -56.39 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.199 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -53.95 -42.88 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.541 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.08 -29.77 58.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.05 -32.73 65.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.318 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 69' ' ' LEU . 93.7 t -58.28 -30.51 40.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.179 0.514 . . . . 0.0 110.473 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.584 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.5 -14.53 57.63 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -101.45 -15.04 17.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.318 0.559 . . . . 0.0 111.668 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -117.87 -30.6 5.35 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.761 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.578 ' HG ' ' HD2' ' A' ' 81' ' ' LYS . 61.8 tp -118.56 -28.12 5.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -173.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.584 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 170.07 124.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.42 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.19 -36.8 85.31 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.651 0.38 . . . . 0.0 111.665 -174.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 12.9 mp0 -107.7 5.49 26.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.345 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.578 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 41.1 ttmt -88.58 -72.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.736 -171.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.42 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -86.85 46.76 3.61 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.925 -172.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 80' ' ' GLU . 91.8 m-20 -89.32 -24.21 22.07 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -165.41 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.385 . . . . 0.0 112.001 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -53.48 -37.95 63.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.372 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.481 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 75.0 t80 -52.3 -55.88 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.704 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.479 HD11 HG21 ' A' ' 73' ' ' VAL . 52.0 mt -76.61 -31.19 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.68 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -73.4 -23.23 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 0.0 110.754 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -84.55 -28.84 26.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 57.2 mt -70.42 -48.1 57.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 176.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -127.61 96.28 33.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.347 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.11 -10.54 29.36 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.319 2.68 . . . . 0.0 112.983 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -101.65 7.58 42.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.264 0.554 . . . . 0.0 110.196 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.456 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 110.97 117.7 3.77 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.484 -177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 8.9 Cg_endo -50.87 -57.13 2.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.412 2.741 . . . . 0.0 112.72 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.86 74.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.587 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.55 -58.14 4.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.47 -37.02 74.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.81 86.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.397 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.791 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.1 p -68.42 -32.59 72.73 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.478 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.57 HH12 ' HA3' ' A' ' 18' ' ' GLY . 42.5 ttt85 -56.31 -41.21 75.6 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -84.03 -36.54 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.987 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -74.25 -4.42 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.903 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.73 58.74 6.1 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.951 -0.643 . . . . 0.0 111.926 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.5 mt -124.69 154.78 70.3 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.97 149.75 89.86 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.232 1.955 . . . . 0.0 111.254 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.11 108.47 1.63 Allowed Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 123.58 0.55 . . . . 0.0 111.388 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -91.14 -61.88 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.268 2.645 . . . . 0.0 112.543 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 m 70.08 -70.45 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.158 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.473 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . 66.51 23.82 72.16 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.907 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.94 84.21 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.094 0.473 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.42 179.468 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtm . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.398 0.142 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.01 144.82 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.847 0.717 . . . . 0.0 111.049 -174.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.26 -163.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.144 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 13' ' ' ALA . 37.2 p -133.67 140.46 47.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.684 0.278 . . . . 0.0 110.803 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.8 pt -91.41 126.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.4 102.34 14.06 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.423 HG22 HG21 ' A' ' 33' ' ' VAL . 24.7 t -91.43 87.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 t70 69.0 -69.67 0.15 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.821 0.701 . . . . 0.0 111.358 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.59 16.01 2.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.725 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.35 105.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 65.1 mt-30 -92.8 106.68 18.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.002 0.43 . . . . 0.0 110.728 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -95.25 130.96 41.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.415 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -64.42 131.83 48.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.72 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.64 152.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.357 0.599 . . . . 0.0 111.624 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.2 158.82 34.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.416 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.01 -17.05 62.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.806 0.336 . . . . 0.0 111.043 -174.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.97 -14.03 56.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.738 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.75 53.7 1.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.764 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -137.78 137.25 38.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.1 108.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.94 0.4 . . . . 0.0 111.264 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -109.41 72.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.62 0.724 . . . . 0.0 109.316 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -167.94 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.273 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt 55.69 -118.03 1.2 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 65.06 -74.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.844 0.715 . . . . 0.0 111.991 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.61 -63.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.431 ' CE3' ' HD2' ' A' ' 54' ' ' ARG . 88.7 t90 69.97 113.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.872 0.733 . . . . 0.0 110.786 -174.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.94 153.78 37.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.719 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.98 -33.11 60.92 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.33 59.36 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.037 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.25 -41.22 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 109.978 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.75 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.268 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -59.01 -53.03 62.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.423 HG21 HG22 ' A' ' 7' ' ' VAL . 91.4 t -64.25 -41.2 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.403 ' HB3' ' HD1' ' A' ' 102' ' ' PHE . 32.4 tpp -59.71 -46.91 87.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.168 0.509 . . . . 0.0 110.075 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -66.25 -35.02 79.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.112 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -58.36 -41.59 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.129 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 95.4 mt-30 -66.02 -46.75 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 1.2 m-20 -76.66 -14.42 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.18 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 5.9 m-20 68.69 22.54 7.42 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.449 0.468 . . . . 0.0 110.907 179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 9.0 tt -106.07 114.65 28.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.851 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -69.13 125.36 26.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.385 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.52 112.92 24.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.27 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -95.03 -175.49 3.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.97 -33.49 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.265 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.23 -52.47 63.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.462 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.7 m80 -64.28 -48.68 74.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.794 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -58.63 -36.08 73.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.755 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.91 -41.9 86.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.725 0.298 . . . . 0.0 110.614 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.88 -40.38 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.542 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.8 mt -59.84 -48.89 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.22 176.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -62.37 -40.82 97.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.287 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 66.3 t80 -58.99 -48.71 80.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.52 -34.15 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.038 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HD2' ' CE3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -56.51 -55.74 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.56 -47.68 83.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.425 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . 41.2 t80 -60.17 -45.98 91.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -76.63 -37.37 56.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.326 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.04 -13.83 59.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 111.021 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -109.95 -48.12 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.425 ' HD2' ' HA ' ' A' ' 56' ' ' TYR . 93.4 m-85 -91.2 -16.18 28.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.3 26.78 13.74 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.776 0.43 . . . . 0.0 111.452 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.56 140.89 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.534 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.13 112.05 65.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -84.56 142.38 9.27 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.52 2.147 . . . . 0.0 113.499 -173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 -178.97 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.46 -38.51 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.955 0.407 . . . . 0.0 110.237 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -53.36 -35.5 60.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.685 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.71 -45.11 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -56.64 -41.56 77.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.526 -177.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 m -56.78 -41.14 77.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 111.876 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.12 -26.18 31.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 111.075 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -69.67 -42.0 74.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.286 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.716 HG13 HD23 ' A' ' 77' ' ' LEU . 75.7 t -60.53 -25.09 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.706 176.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.01 -22.05 64.35 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.832 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -87.61 -22.97 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.207 0.527 . . . . 0.0 110.181 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -88.82 -61.16 1.77 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.716 HD23 HG13 ' A' ' 73' ' ' VAL . 4.3 mm? -83.45 -21.49 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -175.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.15 -176.62 17.58 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.542 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -85.47 9.66 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.303 . . . . 0.0 111.294 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.701 ' HG3' ' HD2' ' A' ' 81' ' ' LYS . 9.1 pt-20 -120.34 5.78 10.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 111.338 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.701 ' HD2' ' HG3' ' A' ' 80' ' ' GLU . 8.8 mptt -129.97 161.96 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.17 4.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 65.84 -73.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.235 0.614 . . . . 0.0 111.658 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.6 t -178.28 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -58.77 -37.73 76.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.015 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.1 t80 -64.62 -32.95 74.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.668 0.27 . . . . 0.0 110.761 -176.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 49.2 mt -84.36 -32.1 24.41 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.241 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -76.64 -9.33 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.248 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 p -99.69 -32.45 11.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.204 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 40.5 mt -63.21 -51.28 66.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.007 0.432 . . . . 0.0 110.052 172.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -122.46 90.18 49.45 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.632 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.1 0.3 6.86 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.874 2.382 . . . . 0.0 112.651 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.403 ' HB3' ' CG ' ' A' ' 98' ' ' GLN . 4.5 t80 -110.76 10.1 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 109.96 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.3 105.18 2.14 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.768 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.559 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 83.1 Cg_exo -46.79 -66.87 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.632 2.888 . . . . 0.0 113.72 -174.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.56 80.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.659 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -68.94 -39.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.153 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' CG ' ' HB3' ' A' ' 93' ' ' TYR . 12.5 mm100 -77.33 -38.69 49.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.673 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.505 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.958 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.6 p -69.93 -28.19 65.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -62.82 -39.41 94.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.69 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.403 ' HD1' ' HB3' ' A' ' 34' ' ' MET . 25.2 m-85 -84.17 -31.6 25.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.806 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.03 36.81 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.999 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.69 44.11 13.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.602 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.958 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 58.8 mt -117.16 134.37 23.05 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -82.05 48.35 2.79 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.879 2.386 . . . . 0.0 113.338 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 9.8 mtpm? 70.54 127.53 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 123.681 0.613 . . . . 0.0 112.365 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 10.8 Cg_exo -72.21 66.19 3.48 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.119 2.546 . . . . 0.0 111.455 174.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 m -94.62 154.89 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.406 -176.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.62 -40.38 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.546 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.9 m -95.3 18.51 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.993 0.425 . . . . 0.0 110.827 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.101 178.933 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.588 0.232 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.74 145.55 27.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.93 -176.31 2.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 2.8 p -134.64 120.19 19.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.815 0.34 . . . . 0.0 110.835 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.4 pt -89.91 136.35 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.65 106.71 19.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.221 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.43 118.51 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 67.4 -74.93 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.662 0.601 . . . . 0.0 111.02 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.67 16.1 0.32 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -116.05 143.61 45.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.485 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 88.0 mt-30 -107.46 105.4 15.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.171 0.51 . . . . 0.0 109.751 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -91.18 123.67 34.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.472 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.21 127.81 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.97 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -124.99 158.32 32.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.325 0.583 . . . . 0.0 111.948 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.02 151.1 48.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.409 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.53 -17.4 63.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -95.97 -18.27 20.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.659 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 114.76 65.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.91 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.3 152.35 48.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HG ' ' H ' ' A' ' 22' ' ' ASN . 25.5 tp -84.29 121.16 27.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.463 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 m -92.29 11.17 26.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.186 0.517 . . . . 0.0 110.654 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 25.7 t-20 -134.32 90.41 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.954 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.3 mt -88.06 13.75 10.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.878 0.371 . . . . 0.0 111.263 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.97 -46.26 30.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.345 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -99.01 -90.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.407 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.433 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 85.1 t90 62.54 102.95 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.524 0.73 . . . . 0.0 111.615 -175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.71 159.77 29.72 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.54 -34.06 32.67 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.65 2.233 . . . . 0.0 112.858 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.58 58.47 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.122 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 20' ' ' LEU . 89.8 t -65.57 -42.96 94.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.39 76.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.714 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -56.32 -57.14 13.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.175 0.512 . . . . 0.0 110.324 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.02 -37.25 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.825 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.9 tpp -66.96 -49.22 66.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . . . -64.85 -32.59 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -59.73 -35.63 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' A' ' 37' ' ' GLN . 14.5 mm-40 -66.81 -42.08 86.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.989 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.73 -4.68 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.958 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 63.66 27.8 14.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.917 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.0 tp -99.23 139.5 34.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.284 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -82.31 130.33 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.72 94.06 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.594 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.21 -171.79 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -50.1 -53.12 29.43 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.989 0.423 . . . . 0.0 111.506 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 49' ' ' ILE . 27.2 mt-10 -68.76 -41.1 79.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.223 -175.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.473 ' O ' HG12 ' A' ' 50' ' ' ILE . 78.1 m80 -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.352 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -63.16 -40.64 98.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.502 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 37.2 t70 -73.17 -25.22 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.249 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -68.12 -44.96 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 102' ' ' PHE . 44.0 mm -62.78 -44.7 99.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.552 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 31.9 t30 -55.12 -47.09 75.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.627 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 73.9 t80 -60.86 -43.73 97.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.551 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD21 HD13 ' A' ' 69' ' ' LEU . 32.7 mt -61.62 -38.89 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 110.395 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 17.6 tpt180 -60.71 -49.16 78.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.362 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.0 mt-10 -61.46 -48.4 81.32 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 110.781 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.65 -41.8 98.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.952 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 61.4 t80 -69.75 -38.78 76.92 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.548 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -42.28 85.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.099 -0.375 . . . . 0.0 111.646 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.64 -46.75 11.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.89 -16.6 25.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.577 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 12.6 tp60 63.17 23.97 14.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.088 0.47 . . . . 0.0 111.217 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 tt -139.46 144.89 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 122.26 -0.275 . . . . 0.0 110.646 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -95.34 125.69 48.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.18 149.04 35.43 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.457 2.105 . . . . 0.0 113.019 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.78 178.2 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.446 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -60.13 -43.85 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 110.279 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -65.65 -39.31 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.23 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 HD21 ' A' ' 53' ' ' LEU . 63.2 tp -61.12 -50.26 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.127 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 m -56.13 -42.77 77.42 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.994 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.68 -47.01 77.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.045 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -72.16 -39.6 68.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.672 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 69' ' ' LEU . 97.5 t -63.29 -30.81 50.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -72.29 8.44 6.83 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.943 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -132.97 -45.64 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.666 0.27 . . . . 0.0 110.344 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -63.3 -44.93 93.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 81' ' ' LYS . 24.1 tp -98.11 -38.66 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.022 0.439 . . . . 0.0 110.357 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 155.65 152.71 6.3 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.218 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -65.18 -41.53 94.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.017 0.437 . . . . 0.0 111.101 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -87.93 -29.18 21.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.522 0.677 . . . . 0.0 109.761 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.404 ' HG2' ' HG ' ' A' ' 77' ' ' LEU . 38.4 tptt -72.78 -41.81 64.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.707 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.42 60.18 4.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -90.43 151.08 21.56 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.531 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 24.9 m -57.9 -50.47 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.291 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -58.27 -36.29 73.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.25 -43.8 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.353 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 95' ' ' PRO . 4.1 mm? -62.2 -40.85 97.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.243 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.531 ' HD1' ' O ' ' A' ' 84' ' ' SER . 63.9 m-85 -73.73 -17.79 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.26 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 m -83.52 -30.74 26.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.491 . . . . 0.0 109.729 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.61 -50.97 18.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.791 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.9 m-85 -120.36 96.71 49.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.84 -25.09 39.53 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.201 2.601 . . . . 0.0 113.288 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -93.73 14.37 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 110.864 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.06 116.58 3.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.756 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 72.3 Cg_exo -49.76 -56.03 3.54 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.352 2.701 . . . . 0.0 112.776 -177.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.92 80.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.416 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.2 -54.13 50.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.566 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.8 mm-40 -63.58 -47.53 81.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.31 84.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.848 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -62.68 -35.85 81.01 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.41 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 39.2 ttm180 -58.62 -44.65 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.967 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.492 ' HB2' HD12 ' A' ' 50' ' ' ILE . 13.5 m-85 -79.65 -31.94 41.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.376 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.09 -10.09 59.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.57 12.35 67.11 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.61 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 88.3 mt -86.21 142.33 35.72 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.41 -179.96 3.6 Favored 'Trans proline' 0 CA--C 1.527 0.161 0 C-N-CA 122.446 2.098 . . . . 0.0 111.572 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -50.41 107.16 0.74 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 123.521 0.513 . . . . 0.0 111.403 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.519 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 14.4 Cg_endo -90.46 -29.36 0.18 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.252 2.635 . . . . 0.0 112.946 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -78.68 83.92 4.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.262 0.554 . . . . 0.0 110.813 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.79 -109.99 0.3 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.437 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.2 p -140.43 108.32 5.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.898 0.38 . . . . 0.0 110.442 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.947 179.176 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.57 -73.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.784 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -142.7 172.26 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.5 p -138.47 157.49 46.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.846 0.355 . . . . 0.0 111.765 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 pt -126.49 143.58 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.09 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -91.81 104.14 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 0.0 110.355 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.03 85.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.601 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 55.85 81.13 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.807 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 19.5 59.37 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.528 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -145.32 139.29 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.11 116.19 30.71 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.046 0.451 . . . . 0.0 110.252 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -98.21 126.7 43.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.393 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 22' ' ' ASN . . . -70.15 118.15 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.032 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.02 157.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.15 162.97 18.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.78 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.97 -22.85 67.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.684 0.278 . . . . 0.0 111.055 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -74.15 -11.48 60.31 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 175.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.96 17.24 54.46 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.503 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 14.2 m-85 -93.25 -175.55 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.729 0.412 . . . . 0.0 110.227 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.93 108.91 21.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -83.41 -27.79 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.0 110.344 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 18.1 t-20 -85.83 78.58 9.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 109.995 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.71 114.35 9.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.42 -60.21 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.552 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 36.0 t70 -141.92 -49.66 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.528 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.494 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 77.3 t90 74.03 133.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.867 0.729 . . . . 0.0 111.647 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 30' ' ' VAL . 23.4 m -118.25 150.17 47.16 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.737 175.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.39 -28.81 74.55 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.692 2.261 . . . . 0.0 112.593 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.31 64.81 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.838 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 HG22 ' A' ' 27' ' ' VAL . 84.4 t -63.34 -46.76 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.82 94.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.446 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.07 -56.49 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.492 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.15 -26.52 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.956 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.574 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 50.6 ttm -75.37 -48.49 22.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.726 0.298 . . . . 0.0 110.43 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.94 63.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.39 -43.76 96.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.111 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -70.89 -36.16 72.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -9.93 59.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.537 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 54.16 45.14 28.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.825 0.821 . . . . 0.0 110.236 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -113.36 110.27 20.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.403 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.64 109.44 3.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.784 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.17 103.5 10.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -87.97 -178.88 6.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.515 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.76 -43.19 80.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 49' ' ' ILE . 1.7 mp0 -57.85 -44.33 86.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.686 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.8 m80 -64.77 -49.16 71.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.674 178.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -60.63 -36.74 79.38 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.348 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.23 -41.5 89.98 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.517 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.7 mm -63.07 -43.43 98.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.107 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 46' ' ' HIS . 89.2 mt -60.03 -50.6 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.366 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -60.4 -47.21 87.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.084 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.65 -37.9 85.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD21 ' HD2' ' A' ' 64' ' ' PRO . 1.2 tt -71.25 -40.8 70.8 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.967 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.12 -42.5 80.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.665 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.19 -42.56 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -66.08 -45.94 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.839 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -62.76 -35.72 80.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 111.077 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -84.61 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.775 -175.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.0 -8.13 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 64.82 21.74 12.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -122.05 141.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.227 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.81 104.46 9.35 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.434 ' HD2' HD21 ' A' ' 53' ' ' LEU . 45.0 Cg_endo -69.61 122.9 9.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.698 2.265 . . . . 0.0 113.012 -174.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 174.93 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.725 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.68 -46.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -65.07 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.249 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.4 t -75.16 -49.9 26.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.2 tp -59.03 -48.6 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.038 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.0 m -61.91 -33.99 75.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 111.207 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -73.93 -30.95 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.989 0.423 . . . . 0.0 110.284 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.16 60.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.179 0.514 . . . . 0.0 110.605 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.512 HG21 HD21 ' A' ' 87' ' ' LEU . 77.4 t -61.56 -27.13 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.122 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -70.93 -3.36 51.02 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.564 -0.743 . . . . 0.0 113.02 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -103.86 -53.27 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.553 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.63 -42.7 16.4 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 73' ' ' VAL . 3.7 mm? -88.4 -45.33 10.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.188 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.52 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 158.14 166.64 17.76 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.045 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.5 -32.05 64.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 0.0 110.879 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -31.3 21.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.393 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.79 -37.47 64.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.638 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.61 60.75 4.65 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.699 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -129.44 -73.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 66.4 m -163.46 -59.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -177.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -48.53 -49.98 33.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.107 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.469 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 63.6 t80 -58.05 -48.67 79.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.648 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 73' ' ' VAL . 4.2 mm? -69.35 -38.0 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.7 -176.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.485 ' HD1' ' O ' ' A' ' 84' ' ' SER . 66.9 m-85 -76.83 -21.8 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.344 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 p -82.26 -21.66 36.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.514 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.0 mt -82.29 -52.55 6.82 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.938 0.399 . . . . 0.0 110.328 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.549 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 65.6 m-85 -125.52 90.58 50.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.244 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.51 -18.48 38.14 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.907 2.404 . . . . 0.0 112.401 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -91.09 5.7 47.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.186 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.51 105.61 1.33 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.823 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.549 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 82.2 Cg_exo -46.57 -66.25 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.657 2.905 . . . . 0.0 113.205 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.76 69.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.416 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 97' ' ' LYS . 3.3 mmmp? -59.5 -49.93 75.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -176.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.66 -41.34 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.081 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.58 -50.78 72.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.435 ' HB2' HD12 ' A' ' 105' ' ' LEU . 25.5 p -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.038 0.447 . . . . 0.0 110.639 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.574 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 45.7 ttt180 -61.73 -46.96 87.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.443 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -74.47 -23.03 58.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.19 -7.34 55.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . 80.08 33.31 33.17 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.578 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' O ' ' HD2' ' A' ' 19' ' ' TYR . 72.6 mt -102.23 163.33 17.92 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 173.87 11.0 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.207 1.938 . . . . 0.0 111.287 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -79.04 116.21 58.35 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.336 0.588 . . . . 0.0 111.096 -174.504 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 6.2 Cg_exo -79.74 115.34 3.33 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.002 2.468 . . . . 0.0 111.105 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.5 m -105.78 105.5 15.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.672 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.32 -94.5 0.1 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.006 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.2 m -81.55 91.74 6.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.163 178.004 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.49 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.73 157.87 36.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.776 0.798 . . . . 0.0 112.468 -167.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 13' ' ' ALA . 75.0 p -119.77 147.06 45.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.844 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' CG1' ' HB2' ' A' ' 12' ' ' PHE . 31.2 pt -88.87 125.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.82 107.01 19.22 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.491 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.19 107.7 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 71.66 -1.45 2.8 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.743 0.652 . . . . 0.0 111.137 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -18.17 8.3 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -85.51 138.21 32.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -104.78 113.96 27.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.096 0.474 . . . . 0.0 111.527 -173.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 93.4 m-85 -94.36 121.37 35.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.993 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -64.17 121.23 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.468 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 20' ' ' LEU . 28.1 m -128.68 155.88 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.953 176.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 -175.35 3.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.713 0.292 . . . . 0.0 110.842 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.3 -27.46 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.45 0.67 55.19 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.735 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.31 13.76 65.21 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.583 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.52 133.33 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.32 0.56 . . . . 0.0 110.426 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HA ' HG12 ' A' ' 14' ' ' VAL . 31.7 tp -70.24 114.46 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.246 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -75.55 -22.19 57.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.325 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -98.54 88.41 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 111.357 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.09 84.05 7.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.231 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -178.65 -48.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.128 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.09 11.67 24.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.838 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -51.44 133.14 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.818 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.28 161.47 61.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.332 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -53.06 -36.6 76.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.653 2.235 . . . . 0.0 112.778 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.47 -27.33 63.27 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.9 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.436 HG13 HD11 ' A' ' 5' ' ' ILE . 75.1 t -59.31 -49.77 82.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.34 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.67 79.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.943 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.21 -57.46 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.191 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 60.2 t -63.05 -38.32 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.404 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 42.0 ttm -64.72 -41.01 96.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.63 76.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.019 0.438 . . . . 0.0 110.305 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.85 -33.86 76.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.117 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 27.9 mt-30 -74.09 -36.62 64.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.19 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -86.44 -11.21 52.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.92 76.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.806 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.1 tp -150.95 142.44 23.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.963 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -94.04 143.21 26.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.68 101.36 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.068 0.461 . . . . 0.0 110.989 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -91.76 -175.21 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.833 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.12 -43.32 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.279 . . . . 0.0 110.683 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 49' ' ' ILE . 1.9 pm0 -65.85 -36.33 83.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -63.53 -50.01 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -62.13 -40.8 97.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -35.57 81.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.313 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 45' ' ' GLU . 72.1 mt -66.83 -45.48 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 110.377 176.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -62.08 -43.1 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.467 . . . . 0.0 109.927 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.73 -40.91 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.568 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.607 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 61.9 t80 -61.72 -41.57 97.81 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.424 HD21 HD13 ' A' ' 69' ' ' LEU . 90.2 mt -70.31 -39.46 74.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 54' ' ' ARG . 30.3 tpt85 -56.59 -47.19 80.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.224 174.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.63 -53.04 31.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.125 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.67 -41.68 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.879 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.473 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 75.3 t80 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.05 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.74 -37.47 70.56 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -79.14 -65.32 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.13 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -78.66 -16.79 56.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.702 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 24.9 mm-40 64.29 26.22 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.789 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.66 143.7 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.102 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -99.66 128.78 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.322 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -82.22 140.23 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.234 2.623 . . . . 0.0 113.046 -177.398 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.95 179.74 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.218 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.64 -40.63 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.601 0.238 . . . . 0.0 111.525 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 67' ' ' ARG . 25.7 ttt85 -70.51 -36.04 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.08 0.467 . . . . 0.0 110.723 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 t -75.5 -40.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -61.86 -52.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -55.81 -36.4 67.4 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.262 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 31.7 ttpt -55.7 -47.96 75.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.601 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.36 -38.98 55.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.979 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.504 HG11 HD21 ' A' ' 87' ' ' LEU . 73.2 t -55.49 -42.42 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -59.34 -42.7 97.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.891 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -80.12 -34.92 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 111.0 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.607 ' HE2' ' HB2' ' A' ' 52' ' ' PHE . 46.3 tttp -72.3 -45.72 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.92 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD13 HG13 ' A' ' 73' ' ' VAL . 11.0 mp -80.43 -33.27 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.29 -97.08 0.16 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.8 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -139.09 -73.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 111.811 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -80.92 -7.21 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 111.557 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.23 -6.06 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.302 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.491 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -120.77 81.76 0.34 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.735 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -142.95 -66.62 0.38 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.4 p -174.79 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.487 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -49.19 -59.74 3.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.068 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.92 -40.52 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.504 HD21 HG11 ' A' ' 73' ' ' VAL . 29.1 mt -75.68 -33.27 60.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -79.95 -11.05 59.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.92 0.391 . . . . 0.0 110.811 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -85.66 -27.76 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.53 -55.29 5.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 94.6 m-85 -118.32 105.26 46.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.723 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.11 -8.81 20.27 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.717 2.278 . . . . 0.0 113.63 -174.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.19 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.303 0.573 . . . . 0.0 109.831 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.8 110.77 0.42 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.973 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 6.6 Cg_endo -49.32 -54.55 5.27 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.314 2.676 . . . . 0.0 112.783 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.01 67.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -67.63 -42.29 82.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.601 -173.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' A' ' 91' ' ' PHE . 50.7 mt-30 -70.49 -42.91 70.75 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.68 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.97 81.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.6 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.788 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -63.47 -37.27 86.65 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 38.4 ttp180 -55.71 -45.63 77.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.769 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.01 -31.11 72.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.4 52.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.459 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 95.61 6.88 59.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.422 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.4 mt -85.73 121.74 73.2 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 122.763 -0.257 . . . . 0.0 110.572 -177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 19.2 Cg_endo -60.26 159.07 28.04 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.545 2.163 . . . . 0.0 110.9 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.574 ' H ' ' HD3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -50.67 109.07 1.18 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 111.578 -175.125 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -91.71 14.45 1.83 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.157 2.572 . . . . 0.0 112.408 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.8 p -73.48 -31.58 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.5 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.32 52.95 49.55 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.43 118.88 9.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 111.21 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.594 -0.717 . . . . 0.0 109.369 176.794 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 44.8 ttp . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.499 ' N ' ' HG2' ' A' ' 1' ' ' MET . . . -152.19 172.35 16.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.42 -169.41 2.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 13.7 p -138.32 137.3 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.935 0.398 . . . . 0.0 111.776 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.5 pt -105.08 137.2 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.166 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 5.1 tm-20 -88.39 109.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.059 0.457 . . . . 0.0 110.221 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 33' ' ' VAL . 58.2 t -129.65 114.43 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.366 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 58.49 30.34 19.59 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.892 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -11.38 71.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.547 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 68.2 mttm -95.76 168.69 10.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.686 0.279 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 15.8 pt20 -128.92 105.95 8.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.448 0.642 . . . . 0.0 110.151 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 97.7 m-85 -91.8 134.4 34.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.163 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 126.14 30.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.249 0.547 . . . . 0.0 111.483 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.15 144.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.64 157.7 33.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.737 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 1' ' ' MET . 35.2 mt-10 -54.06 -30.46 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.397 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.38 -1.18 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.58 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.66 28.97 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.86 173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 92.5 m-85 -113.83 151.07 32.62 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.8 120.01 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.657 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.5 p -91.05 -18.2 24.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -106.18 95.8 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.937 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.524 HD21 ' O ' ' A' ' 104' ' ' GLY . 85.9 mt -94.84 -156.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.271 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' HB3' ' A' ' 23' ' ' LEU . 64.0 t30 78.16 -37.14 0.22 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.699 0.799 . . . . 0.0 111.218 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.39 -88.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.749 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.63 ' HE3' HH11 ' A' ' 54' ' ' ARG . 87.1 t90 63.25 125.66 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.62 0.768 . . . . 0.0 111.87 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.98 153.07 63.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.171 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -53.34 -28.37 43.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.105 2.537 . . . . 0.0 112.804 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.25 -29.04 67.83 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.35 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.44 -44.3 86.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.12 89.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -51.67 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 7' ' ' VAL . 99.7 t -63.12 -42.84 98.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.684 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.9 tpp -58.54 -54.02 51.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.65 78.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.502 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -55.93 -42.07 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -67.91 -36.89 80.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.5 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.16 3.45 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.605 0.24 . . . . 0.0 111.434 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 66.9 53.8 0.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.296 0.57 . . . . 0.0 111.052 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 102' ' ' PHE . 21.9 tp -140.56 145.03 36.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.143 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -108.84 145.39 35.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -111.5 115.61 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.161 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.499 ' HB ' ' OE1' ' A' ' 44' ' ' GLU . 41.6 p -95.8 -174.95 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 1.7 pm0 -60.14 -31.49 70.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.205 0.526 . . . . 0.0 110.06 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 49' ' ' ILE . 37.9 mt-10 -60.9 -51.35 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.908 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.3 m80 -64.52 -46.93 80.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.855 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -58.82 -38.83 79.53 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.654 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.7 -40.95 92.8 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.56 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -65.38 -43.06 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.771 0.32 . . . . 0.0 110.471 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 46' ' ' HIS . 81.5 mt -60.5 -48.17 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.04 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.52 -40.63 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.014 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 81.1 t80 -60.92 -39.34 89.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 69' ' ' LEU . 38.3 mt -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.006 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.63 HH11 ' HE3' ' A' ' 26' ' ' TRP . 20.2 ttt85 -61.22 -50.68 72.12 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.165 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.73 -34.26 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 52' ' ' PHE . 17.5 t80 -65.55 -40.75 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.088 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -75.72 -37.06 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.7 -42.3 88.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.08 -59.91 1.86 Allowed 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -81.36 -23.67 37.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.531 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 64.93 21.74 12.37 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -117.97 139.92 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.68 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -98.14 108.59 47.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.411 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 10.9 Cg_exo -70.28 134.95 28.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.912 2.408 . . . . 0.0 113.072 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.33 -178.48 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.98 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.82 -40.89 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.928 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.08 -38.78 89.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.1 t -78.82 -48.74 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.373 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD13 HD21 ' A' ' 53' ' ' LEU . 64.9 tp -57.02 -52.54 64.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.446 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -55.01 -47.46 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.484 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.07 -37.54 87.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.028 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.26 -32.81 69.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.795 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 69' ' ' LEU . 90.7 t -61.27 -43.1 95.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 110.684 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.15 12.12 7.34 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.974 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -105.56 -34.28 7.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 110.225 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -96.73 -49.95 4.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.277 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 81' ' ' LYS . 37.1 tp -70.61 -58.69 3.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.536 -169.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.87 158.53 31.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.417 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.38 -28.88 70.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -126.15 22.87 7.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 0.0 110.075 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.437 ' HB3' HD23 ' A' ' 77' ' ' LEU . 48.0 mttm -112.92 84.55 2.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.076 174.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 37.91 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.48 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.48 -176.11 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 88' ' ' TYR . 10.2 m -54.48 -66.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.75 -24.97 67.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.102 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 21.2 t80 -56.2 -51.92 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.204 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 95' ' ' PRO . 3.5 mm? -74.29 -35.01 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.306 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.511 ' HD2' ' O ' ' A' ' 84' ' ' SER . 49.6 m-85 -69.38 -27.33 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.674 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -82.62 -27.03 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.61 0.243 . . . . 0.0 110.937 175.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 85.7 mt -67.11 -56.47 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.0 110.011 175.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 90.2 m-85 -123.78 105.63 32.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.25 -43.57 22.91 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.982 2.455 . . . . 0.0 113.042 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -88.84 61.27 5.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.419 0.628 . . . . 0.0 110.437 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.39 110.06 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.681 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 84.2 Cg_exo -45.68 -55.1 3.82 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.403 2.735 . . . . 0.0 112.901 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.64 -39.41 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.543 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -61.88 -54.35 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 10.7 mm100 -64.06 -49.62 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.25 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.602 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.3 p -66.87 -36.47 82.39 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.652 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.22 -38.04 87.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 24.3 m-85 -74.13 -35.61 64.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.03 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.524 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 91.76 5.22 66.73 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.404 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 61.9 mt -78.36 140.62 60.73 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.71 160.32 37.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 111.909 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 19' ' ' TYR . 44.3 tttm -58.74 110.12 2.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.549 -176.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -94.36 154.02 2.04 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.241 2.628 . . . . 0.0 113.269 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 t -164.37 158.57 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.477 176.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -103.82 61.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.207 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.9 p -74.59 -36.57 63.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 110.563 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.246 176.61 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 14.8 mmt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.637 0.256 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.67 157.74 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -128.95 -178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.7 119.52 14.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 111.146 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.3 pt -94.06 137.04 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.768 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.03 110.0 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.311 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -112.01 84.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t70 40.98 80.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.534 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.49 -29.97 5.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.443 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.63 131.75 45.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.87 0.367 . . . . 0.0 111.392 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -102.89 106.64 17.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.904 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -98.4 119.87 37.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.11 0.481 . . . . 0.0 110.931 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.98 127.4 33.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.6 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.13 142.06 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.656 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -176.09 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.316 . . . . 0.0 110.72 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.17 -19.74 60.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.366 -173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.08 -0.72 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.249 0.547 . . . . 0.0 110.515 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.99 31.07 27.04 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.746 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -109.8 153.87 23.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.381 . . . . 0.0 110.532 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -71.06 119.21 14.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.2 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -86.09 -20.62 28.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 0.0 111.58 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.99 107.86 19.09 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD21 ' O ' ' A' ' 104' ' ' GLY . 74.4 mt -95.39 -177.01 3.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.822 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 52.55 18.95 1.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.813 1.245 . . . . 0.0 113.341 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.65 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 t90 30.84 106.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.698 1.599 . . . . 0.0 114.791 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.86 153.85 40.56 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.191 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.18 -30.37 50.42 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.743 2.295 . . . . 0.0 112.62 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 -31.0 75.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.827 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.3 t -59.27 -50.44 79.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.456 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.69 91.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.847 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.543 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 14.0 t70 -63.48 -56.81 13.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.44 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 81.4 t -60.82 -36.66 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.439 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 43.5 ttm -68.68 -42.55 77.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.783 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.58 91.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.367 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 1.6 mptm? -62.42 -31.97 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 27.3 mt-30 -74.84 -24.89 58.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -101.35 0.71 37.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.618 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 69.56 48.0 0.63 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.493 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD22 HE21 ' A' ' 98' ' ' GLN . 23.1 tp -135.04 140.67 45.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.85 153.58 18.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -118.78 110.11 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.8 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 p -93.62 -178.25 4.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.015 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.18 -31.0 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.021 0.439 . . . . 0.0 110.206 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 49' ' ' ILE . 4.9 mm-40 -70.81 -44.6 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.797 178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -61.98 -47.01 86.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -59.93 -35.74 75.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.33 -38.29 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.698 0.285 . . . . 0.0 110.616 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.4 mm -67.17 -44.43 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.422 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.29 -44.77 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.978 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 15.2 t-20 -59.29 -44.85 92.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.646 176.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.54 -44.47 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 53' ' ' LEU . 14.0 mt -65.79 -37.96 87.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.84 -51.29 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 14.6 mm-40 -60.87 -46.94 88.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.503 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.68 -49.7 76.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -73.17 -37.65 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.382 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.77 -34.97 74.51 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.983 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.32 -40.68 12.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -104.07 -12.7 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 65.29 23.82 12.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.094 0.558 . . . . 0.0 111.275 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.87 129.87 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.36 109.06 43.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.26 143.86 22.73 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.46 2.107 . . . . 0.0 112.664 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 111' ' ' CYS . . . -82.29 -176.05 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.445 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -47.62 -57.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -58.39 -45.97 87.28 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.776 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.03 -46.77 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.981 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 73' ' ' VAL . 54.7 tp -60.62 -51.21 70.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.761 HG21 ' H ' ' A' ' 84' ' ' SER . 22.4 m -62.61 -28.63 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.34 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.71 -34.98 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.08 -27.56 43.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.559 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 69' ' ' LEU . 96.4 t -60.35 -35.97 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.778 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.68 -11.85 63.35 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.256 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -93.73 -22.85 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.841 0.353 . . . . 0.0 110.49 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HD3' ' C ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -101.75 -62.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 109.894 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.61 -33.39 60.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.66 171.78 13.62 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 80' ' ' GLU . 35.5 mtmm -77.79 150.66 34.28 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 45.3 mt-10 75.38 -39.41 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.794 0.684 . . . . 0.0 110.422 -173.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -81.08 -0.86 41.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.815 0.817 . . . . 0.0 109.055 168.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.59 172.4 21.91 Favored Glycine 0 N--CA 1.438 -1.182 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 172.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.433 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.3 t30 65.5 94.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.534 0.683 . . . . 0.0 112.035 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.761 ' H ' HG21 ' A' ' 70' ' ' THR . 8.8 t 68.95 -79.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.943 171.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -47.64 -67.64 0.26 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -167.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 t80 -62.72 -34.89 78.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.804 -170.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.6 mm? -68.0 -40.68 82.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.264 . . . . 0.0 110.919 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 84' ' ' SER . 55.7 m-85 -76.18 -20.32 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.745 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.5 m -83.01 -30.46 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.558 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 78.9 mt -78.1 -49.71 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.522 176.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 58.6 m-85 -116.9 92.52 39.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.435 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -71.29 -13.01 30.57 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.527 2.152 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.93 4.08 54.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.497 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.472 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 122.43 109.66 2.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.882 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.0 Cg_endo -48.2 -65.85 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.733 2.955 . . . . 0.0 113.404 -176.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.84 80.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.115 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -54.06 -53.62 50.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.409 HE21 HD22 ' A' ' 40' ' ' LEU . 14.1 mm100 -71.72 -46.75 57.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.135 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.94 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.638 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.734 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.2 p -70.21 -33.88 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.469 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 78.9 ttt180 -60.83 -49.17 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.64 -28.16 66.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.6 -13.19 59.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.526 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 95.3 -1.76 64.85 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.8 mt -65.54 122.47 80.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.735 0.302 . . . . 0.0 110.537 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 71.8 Cg_endo -75.51 48.04 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.424 2.75 . . . . 0.0 113.277 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 106' ' ' PRO . 49.9 mtmt 75.01 123.92 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.967 0.792 . . . . 0.0 111.861 178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 13.7 Cg_exo -69.9 152.58 68.62 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.909 2.406 . . . . 0.0 111.33 175.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.8 p -68.73 -33.58 74.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 0.0 111.213 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.83 172.6 13.18 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.831 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 10.8 p -119.08 25.79 9.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.235 0.54 . . . . 0.0 109.994 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.251 1.132 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.445 -178.113 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HA ' ' OE2' ' A' ' 16' ' ' GLU . 20.1 ptp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.636 0.255 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.88 63.47 2.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 109.735 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.74 -169.39 2.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.07 -167.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 13' ' ' ALA . 1.5 p -135.27 139.38 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.364 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 30' ' ' VAL . 32.9 pt -99.52 141.59 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -97.84 107.95 20.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 110.532 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.66 101.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.773 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 58.45 55.61 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.694 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.15 -21.21 7.2 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.782 -0.644 . . . . 0.0 113.292 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -104.4 142.64 34.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 94.3 mt-30 -104.3 134.22 47.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.083 0.468 . . . . 0.0 111.23 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.78 134.12 55.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.207 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -70.51 125.99 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.514 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 20' ' ' LEU . 33.5 m -128.01 169.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.061 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.86 -175.56 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.573 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 17.0 tt0 -69.49 -19.24 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.616 0.246 . . . . 0.0 111.422 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.29 -28.76 23.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.318 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.69 0.67 12.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 101' ' ' ARG . 20.8 m-85 -65.06 125.9 26.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.833 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 31.9 tp -54.45 104.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.449 0.468 . . . . 0.0 110.15 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -94.79 -2.46 50.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -107.34 82.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 89.51 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.274 0.559 . . . . 0.0 111.041 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -96.72 -37.64 10.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.408 176.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 13.7 t70 -166.79 -38.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.689 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.529 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 83.5 t90 79.72 122.68 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.095 0.872 . . . . 0.0 110.951 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -115.14 151.86 46.13 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.688 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -49.95 -34.95 39.23 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.296 2.664 . . . . 0.0 113.165 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.3 67.09 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.791 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 5' ' ' ILE . 78.3 t -60.94 -48.16 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.64 78.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.785 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 42' ' ' LEU . 21.2 t70 -59.24 -55.1 39.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.563 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.19 -37.46 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.47 . . . . 0.0 110.517 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.536 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 34.5 ttm -68.27 -45.37 73.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.898 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -33.72 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.372 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.02 -21.13 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.041 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.17 -31.03 15.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.437 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.39 -12.64 59.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.8 t30 69.56 47.3 0.67 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.539 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.2 tp -133.41 141.88 48.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.81 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -84.09 139.88 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 32' ' ' ASP . 74.6 mt -101.45 95.22 6.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 110.177 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.0 m -95.5 166.6 11.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.759 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -51.4 -33.11 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' O ' HG12 ' A' ' 49' ' ' ILE . 13.8 mm-40 -56.15 -58.9 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.146 172.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -61.1 -41.22 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.174 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -56.73 -42.96 80.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.518 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 16.0 t70 -76.1 -28.48 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.881 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.2 mm -63.78 -46.79 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 103' ' ' ALA . 69.9 mt -64.7 -41.67 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.933 175.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 38.5 t30 -57.29 -49.68 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.893 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 53' ' ' LEU . 27.6 mt -64.98 -36.09 83.29 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.588 176.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -67.01 -48.54 68.07 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.685 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 45.7 mt-10 -53.21 -44.24 67.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.817 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -77.23 -39.13 49.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.693 0.282 . . . . 0.0 111.534 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -70.0 -30.15 67.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.778 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.01 -64.79 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.556 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -75.84 -9.42 58.58 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.666 -172.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.73 19.97 11.45 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.868 0.467 . . . . 0.0 111.792 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 tt -136.95 144.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.845 0.355 . . . . 0.0 110.758 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.95 121.59 47.34 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.925 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 87.4 Cg_endo -83.9 164.68 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.942 2.428 . . . . 0.0 113.64 -174.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.574 ' HB2' ' HA3' ' A' ' 110' ' ' GLY . . . -95.2 -180.0 5.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -54.66 -47.27 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 123.101 0.251 . . . . 0.0 111.647 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.72 -51.11 68.46 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.06 0.457 . . . . 0.0 110.977 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 39.4 t -66.82 -46.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.936 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 73' ' ' VAL . 65.8 tp -56.73 -56.97 14.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.33 -178.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.499 HG23 HD23 ' A' ' 87' ' ' LEU . 19.1 m -55.87 -37.0 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.06 -175.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -82.65 -28.42 30.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.29 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.66 55.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.976 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 69' ' ' LEU . 86.1 t -57.72 -29.52 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 176.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -69.6 -10.35 63.55 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.375 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.12 -19.8 15.61 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.612 -0.346 . . . . 0.0 111.215 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.3 -35.68 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.818 -169.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -100.3 -45.61 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.844 0.354 . . . . 0.0 110.514 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.575 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 171.0 149.18 6.34 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -73.58 -15.09 61.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.279 0.539 . . . . 0.0 111.746 -173.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 22.9 mp0 -77.84 -24.37 48.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 8.8 mptt -87.93 110.23 20.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.326 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.91 -25.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.261 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -63.32 139.82 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 174.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -59.74 -26.96 66.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.655 0.264 . . . . 0.0 110.618 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -46.56 -45.46 18.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.97 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -59.69 -58.51 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.983 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.499 HD23 HG23 ' A' ' 70' ' ' THR . 4.4 mm? -69.71 -34.26 73.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.745 -174.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.32 -6.83 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.2 m -94.19 -30.54 14.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.75 -44.97 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.472 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 82.9 m-85 -121.98 103.23 39.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.281 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.05 -5.54 14.55 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.1 2.534 . . . . 0.0 113.021 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.26 16.12 13.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.86 101.75 2.12 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.337 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.495 ' HB3' HD12 ' A' ' 87' ' ' LEU . 72.5 Cg_exo -49.3 -60.37 0.89 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.43 2.753 . . . . 0.0 112.956 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.65 76.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.453 ' HA ' ' HG ' ' A' ' 100' ' ' CYS . 54.6 tttp -72.22 -44.97 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -172.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -68.47 -43.78 76.23 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.21 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.72 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.757 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.5 p -69.0 -27.71 65.94 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.523 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.536 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 44.0 ttm180 -61.34 -50.19 73.95 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 23.0 m-85 -64.67 -33.91 77.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.057 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -78.0 -23.18 48.42 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.388 0.43 . . . . 0.0 111.549 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.833 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 86.89 30.52 20.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.444 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 75.9 mt -86.76 116.66 66.78 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.94 86.8 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.225 2.617 . . . . 0.0 113.312 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 108' ' ' PRO . 14.0 ptmm? 35.57 88.24 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 124.587 1.155 . . . . 0.0 113.115 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 9.4 Cg_endo -51.89 122.82 11.13 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.639 2.892 . . . . 0.0 113.124 -176.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.462 HG22 ' SG ' ' A' ' 111' ' ' CYS . 11.2 m -87.43 90.41 8.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.774 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.574 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -80.6 91.73 1.39 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.496 -176.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 109' ' ' THR . 25.7 p -165.98 -166.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.517 176.375 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.87 151.56 25.45 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -135.51 -164.15 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.009 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 21.5 p -136.53 131.82 34.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -176.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.498 HD11 HG13 ' A' ' 30' ' ' VAL . 30.2 pt -95.22 128.27 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -93.56 102.35 14.54 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.289 0.566 . . . . 0.0 110.75 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.09 129.46 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.078 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t70 65.98 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.588 0.555 . . . . 0.0 110.172 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 8.42 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -112.61 137.37 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.541 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 0.4 OUTLIER -89.07 108.66 19.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.094 176.06 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.01 124.41 35.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.01 123.32 21.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.629 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 20' ' ' LEU . 23.5 m -133.09 152.68 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.009 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -179.08 5.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.61 -25.11 60.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.62 -18.23 56.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.109 0.481 . . . . 0.0 109.762 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.53 17.61 13.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.299 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -87.02 139.91 30.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.065 0.432 . . . . 0.0 110.452 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.729 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 54.5 tp -63.81 116.73 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -84.27 -21.33 31.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.111 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -106.84 88.47 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.212 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.97 105.03 16.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -147.47 -71.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.422 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.34 -62.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 66.9 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.721 0.638 . . . . 0.0 111.259 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.75 155.59 77.03 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.619 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.04 -34.32 46.4 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.887 2.391 . . . . 0.0 112.639 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.43 -27.66 63.65 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.126 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG13 HD11 ' A' ' 5' ' ' ILE . 84.6 t -65.33 -50.7 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.03 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.92 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.084 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.4 -39.31 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.984 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.96 -46.77 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.261 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.84 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.736 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.14 -25.24 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.518 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -74.79 -50.99 15.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.248 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -16.57 64.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.874 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 t30 66.1 61.77 0.61 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.722 0.772 . . . . 0.0 109.974 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 tp -129.51 113.45 14.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.461 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.96 101.1 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.45 103.91 3.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -91.98 -176.36 4.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.481 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.54 -37.3 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.542 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 49' ' ' ILE . 36.5 mt-10 -72.34 -37.2 68.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.579 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.31 -47.27 71.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -61.4 -35.31 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.451 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.22 -38.14 75.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.953 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.0 mm -62.0 -47.37 93.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.195 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -44.32 91.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.068 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.7 t30 -55.31 -49.76 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.991 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' HZ ' ' HB1' ' A' ' 72' ' ' ALA . 65.6 t80 -61.29 -38.7 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 53' ' ' LEU . 24.3 mt -62.88 -37.5 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.007 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HE ' ' CD ' ' A' ' 58' ' ' GLU . 31.4 ttt180 -69.06 -41.34 77.71 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.928 176.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 50.8 mt-10 -56.45 -51.92 66.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.596 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.08 -39.92 87.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -68.38 -45.77 71.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.24 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' CD ' ' HE ' ' A' ' 54' ' ' ARG . 50.4 mt-10 -70.46 -17.9 62.99 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.97 -49.89 6.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -109.23 -6.25 15.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 59.98 28.91 18.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.375 0.607 . . . . 0.0 110.527 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -122.4 124.89 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.801 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -93.59 110.96 50.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.51 162.57 21.98 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.589 2.193 . . . . 0.0 113.565 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.24 -162.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.614 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.18 -65.52 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -70.67 -27.53 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.666 0.269 . . . . 0.0 111.055 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.12 -40.5 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.074 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 73' ' ' VAL . 67.6 tp -64.23 -50.38 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.345 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -48.42 -42.5 32.33 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.726 0.641 . . . . 0.0 112.04 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -56.87 -43.61 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.543 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -90.51 -7.88 51.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.748 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 69' ' ' LEU . 73.5 t -63.72 -31.38 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.5 176.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.66 -24.53 69.71 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.732 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -86.98 -25.78 24.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HG3' HD12 ' A' ' 77' ' ' LEU . 60.2 tptt -89.09 -60.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.392 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.508 HD13 HG13 ' A' ' 73' ' ' VAL . 10.4 mp -86.38 -66.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.561 -174.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.03 -170.83 43.21 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.016 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 43.1 tptt -78.56 110.93 14.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.798 0.332 . . . . 0.0 110.717 -173.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 61.91 12.62 4.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.949 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.28 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.417 ' HA3' HG11 ' A' ' 73' ' ' VAL . . . -76.69 -40.4 26.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p30 38.43 -96.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 112.819 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -168.35 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.23 -39.18 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.505 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -59.0 -45.03 91.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 2.7 mm? -61.83 -40.62 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.58 -18.03 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.707 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -81.37 -31.11 33.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.993 0.425 . . . . 0.0 110.004 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.4 mt -71.06 -47.77 56.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.87 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.534 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 55.2 m-85 -124.04 95.29 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.08 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.22 -22.25 61.11 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 123.243 2.628 . . . . 0.0 112.869 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -84.79 -7.88 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.083 0.468 . . . . 0.0 110.406 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 130.05 119.03 2.09 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.306 -0.717 . . . . 0.0 111.306 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.545 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.3 Cg_endo -52.18 -56.76 2.6 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.514 2.809 . . . . 0.0 112.829 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.84 76.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -51.14 -60.24 3.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.84 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -68.97 -42.48 76.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.466 -175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.27 90.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -70.84 -34.18 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 110.252 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -58.7 -52.23 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.679 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -68.1 -26.68 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.48 -20.69 54.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 111.522 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 99.14 17.54 26.99 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.894 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.631 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 92.9 mt -87.15 114.84 60.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.76 84.17 1.28 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 123.094 2.53 . . . . 0.0 113.596 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 mttm 54.2 65.63 5.1 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.153 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 55.3 Cg_endo -67.53 -18.32 48.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.977 2.451 . . . . 0.0 112.893 -172.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.2 t -64.82 -22.09 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.024 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.41 74.71 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.562 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.0 t -142.58 29.48 1.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.246 0.906 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.679 -178.343 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.74 -170.07 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.653 0.595 . . . . 0.0 110.654 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -132.12 156.84 45.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.799 0.333 . . . . 0.0 110.587 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 13' ' ' ALA . 35.8 p -125.57 127.82 46.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.814 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.545 HG13 ' HB2' ' A' ' 12' ' ' PHE . 19.6 pt -89.54 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 109.996 174.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.12 109.31 20.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.506 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.2 t -120.74 92.04 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.757 0.313 . . . . 0.0 111.459 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 61.22 44.53 9.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.113 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.46 36.46 23.41 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.776 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -150.23 122.28 8.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 117.45 31.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.735 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' HB2' HG13 ' A' ' 5' ' ' ILE . 94.6 m-85 -105.47 116.09 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.281 176.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -76.45 121.96 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.31 151.89 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.213 0.53 . . . . 0.0 111.134 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.64 162.77 28.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.901 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.53 -17.9 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.7 -1.12 57.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.88 38.97 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.553 175.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -98.81 138.77 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.223 0.511 . . . . 0.0 110.649 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.98 126.81 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -86.35 -36.23 19.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.026 0.441 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -91.09 83.93 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.922 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD21 ' O ' ' A' ' 104' ' ' GLY . 75.8 mt -87.62 88.53 7.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -163.99 -44.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.104 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.08 -87.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 66.79 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.991 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.13 160.42 68.59 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.402 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.56 -34.22 51.42 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.689 2.259 . . . . 0.0 112.281 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -28.72 62.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.094 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.09 -52.13 64.32 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 120.964 0.411 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -67.31 -40.92 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.434 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.37 -59.39 5.41 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.324 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.63 -39.12 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.89 ' HG2' HH21 ' A' ' 101' ' ' ARG . 41.3 ttm -67.89 -38.22 82.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.0 69.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.427 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -72.53 -23.03 60.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.57 -47.18 87.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.256 0.55 . . . . 0.0 109.636 173.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -15.77 57.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.732 176.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.1 t30 65.83 81.54 0.2 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.549 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.52 122.5 22.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.781 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -72.07 104.56 3.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.051 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.92 91.76 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -179.65 6.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 173.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.262 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -63.63 -47.48 81.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.202 173.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -45.59 75.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.271 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.66 -31.3 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.0 -44.63 92.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.187 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.69 -44.08 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.616 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.34 -46.88 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.564 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 50.5 t30 -61.25 -46.51 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.097 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -58.06 -40.88 82.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.501 HD21 HD13 ' A' ' 69' ' ' LEU . 25.8 mt -70.43 -32.41 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.34 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -66.09 -44.38 84.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 41.0 mt-10 -66.5 -33.29 75.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.517 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.57 -49.38 76.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.48 -34.08 75.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.2 0.524 . . . . 0.0 110.331 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.73 -41.33 99.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.378 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.65 -51.09 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.61 -22.39 50.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.127 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 64.46 24.02 13.05 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.599 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 tt -147.31 148.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.05 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 108' ' ' PRO . . . -96.83 132.19 26.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.83 152.27 8.6 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.71 2.273 . . . . 0.0 113.35 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.92 177.94 7.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.137 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.56 -38.4 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.32 -12.91 61.0 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.6 t -93.62 -47.18 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 HD21 ' A' ' 53' ' ' LEU . 64.3 tp -57.8 -40.38 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.5 m -56.57 -41.2 76.51 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.81 -33.37 62.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.581 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.72 95.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.66 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.478 HG13 HD23 ' A' ' 77' ' ' LEU . 92.6 t -62.13 -34.7 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 109.96 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.96 -24.44 70.13 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.607 177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -82.72 -43.0 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.008 0.432 . . . . 0.0 110.354 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.63 -50.28 9.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.947 -173.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.478 HD23 HG13 ' A' ' 73' ' ' VAL . 4.2 mm? -87.85 -46.69 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.328 . . . . 0.0 111.156 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 149.0 170.09 16.32 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.392 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.848 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.13 -30.17 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.87 9.11 40.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.032 0.444 . . . . 0.0 111.457 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -112.82 -13.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.11 49.42 4.23 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.943 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -135.36 153.94 51.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.1 m -57.12 -29.61 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.257 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.91 -46.26 67.95 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.967 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.93 -35.97 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.348 0.594 . . . . 0.0 110.785 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.631 ' HB3' ' HG3' ' A' ' 95' ' ' PRO . 4.5 mm? -76.1 -36.51 58.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.492 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -81.35 -14.54 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 p -84.88 -27.02 26.96 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.026 173.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.64 -47.91 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.601 171.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.448 ' CB ' ' HA ' ' A' ' 95' ' ' PRO . 75.3 m-85 -129.42 111.7 17.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.695 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.59 -24.05 14.14 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.743 2.295 . . . . 0.0 113.278 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -115.64 71.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 111.555 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.65 84.77 0.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.631 ' HG3' ' HB3' ' A' ' 87' ' ' LEU . 9.9 Cg_endo -52.94 -42.06 66.74 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.417 2.744 . . . . 0.0 113.549 -176.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.07 96.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 46.0 mtpt -73.13 -45.98 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.72 -175.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -46.91 85.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.065 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.35 91.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.491 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.755 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.5 p -70.1 -34.25 72.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.977 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.89 HH21 ' HG2' ' A' ' 34' ' ' MET . 30.5 ttp180 -58.78 -44.41 90.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.151 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.421 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . 20.1 m-85 -67.36 -33.82 76.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.15 -8.73 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.006 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.45 -0.83 66.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.613 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 85.1 mt -72.12 127.52 90.32 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.519 0.2 . . . . 0.0 110.911 -177.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.25 171.31 11.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.742 2.295 . . . . 0.0 112.124 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 30.9 ttmt -63.23 111.45 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 -177.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 85.6 Cg_endo -87.17 -8.89 6.36 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.844 2.363 . . . . 0.0 112.727 -179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.537 HG21 HG22 ' A' ' 112' ' ' VAL . 6.4 m -83.35 -50.36 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.441 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.83 45.41 34.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.062 -177.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.8 t -166.54 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.537 HG22 HG21 ' A' ' 109' ' ' THR . 15.4 m . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.365 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.27 170.99 0.32 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.781 0.676 . . . . 0.0 110.662 -176.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -170.23 -170.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 13' ' ' ALA . 74.2 p -121.27 128.89 52.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.205 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.512 HD11 HG13 ' A' ' 30' ' ' VAL . 27.7 pt -91.79 127.33 44.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.23 107.61 19.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.011 0.434 . . . . 0.0 110.188 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -100.47 115.51 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.57 -79.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.946 0.778 . . . . 0.0 110.865 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.05 13.62 1.11 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.671 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -124.03 132.97 53.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.594 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -88.15 120.34 29.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.51 127.85 48.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.33 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -83.66 114.55 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -176.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 20' ' ' LEU . 15.6 m -123.5 150.41 27.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.196 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.33 155.08 34.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -67.57 -17.62 64.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.276 0.56 . . . . 0.0 110.405 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 37.9 tt0 -67.27 -17.37 64.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.685 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 92.85 51.91 2.2 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.487 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' HE1' ' SG ' ' A' ' 100' ' ' CYS . 66.0 m-85 -141.02 135.28 30.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' HA ' HG12 ' A' ' 14' ' ' VAL . 55.8 tp -65.59 114.7 5.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 t -86.98 -19.75 28.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.337 0.589 . . . . 0.0 110.313 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -106.5 92.03 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.393 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD21 ' O ' ' A' ' 104' ' ' GLY . 68.3 mt -81.88 105.06 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -167.28 -33.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -124.01 -86.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.61 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.3 t90 69.57 110.09 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.523 0.729 . . . . 0.0 111.646 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -117.94 156.88 49.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.686 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.42 -31.04 76.02 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.956 2.438 . . . . 0.0 112.556 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.72 -34.95 72.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.491 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 5' ' ' ILE . 88.0 t -57.63 -48.02 84.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.372 . . . . 0.0 110.494 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.37 -49.11 72.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.8 t -65.04 -36.96 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.054 0.454 . . . . 0.0 110.734 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.5 ttm -65.35 -50.73 64.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 -27.02 68.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.787 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -64.49 -35.62 81.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.94 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.81 -35.62 51.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -77.97 -7.54 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.57 32.31 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 109.798 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.2 tp -107.28 151.55 25.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.333 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -85.21 143.66 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.789 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.7 mt -117.92 90.52 3.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.007 172.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.1 p -91.1 -177.71 4.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.067 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.81 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.091 0.472 . . . . 0.0 109.897 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 tp10 -72.22 -49.18 37.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 50' ' ' ILE . 70.3 m80 -61.54 -50.76 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.935 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -59.68 -33.0 71.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.34 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.06 -48.46 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 45' ' ' GLU . 42.5 mm -63.2 -43.1 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.4 mt -57.3 -51.55 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.747 178.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -68.89 -35.78 77.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.68 -40.24 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.73 HD21 HD13 ' A' ' 69' ' ' LEU . 18.7 mt -64.64 -42.26 95.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.132 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -63.39 -44.83 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.639 -0.424 . . . . 0.0 109.951 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.04 -49.35 73.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.896 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -61.8 -38.0 86.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.662 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 60.6 t80 -74.04 -41.11 62.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.242 -177.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.12 -22.28 60.57 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.277 -0.265 . . . . 0.0 111.42 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -94.44 -58.82 2.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -84.88 -21.45 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 84.5 mm-40 65.54 20.05 11.6 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.152 -176.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.5 mt -117.54 139.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -99.34 109.98 56.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.16 129.31 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.055 2.503 . . . . 0.0 113.28 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.91 -173.96 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.196 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.59 -35.47 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -174.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.21 -12.12 55.36 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.63 -41.33 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.963 0.411 . . . . 0.0 110.804 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD13 HD21 ' A' ' 53' ' ' LEU . 56.5 tp -59.71 -39.54 84.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -178.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -59.22 -44.42 92.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 111.416 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.99 -42.11 97.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.39 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.253 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.2 -39.19 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.529 ' HA2' ' HA ' ' A' ' 80' ' ' GLU . . . -61.61 -31.77 79.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.049 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -88.3 -21.92 24.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -77.43 -42.43 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.766 ' HG ' ' HE2' ' A' ' 81' ' ' LYS . 3.8 mm? -79.67 1.2 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.267 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.96 -58.98 4.99 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.27 149.47 21.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.529 ' HA ' ' HA2' ' A' ' 74' ' ' GLY . 2.0 mp0 -71.54 68.85 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.208 0.528 . . . . 0.0 110.038 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.766 ' HE2' ' HG ' ' A' ' 77' ' ' LEU . 40.1 ttpt -71.34 -40.99 70.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.798 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.3 46.82 2.84 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.663 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.54 -48.09 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.4 p -161.31 -72.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -54.11 -42.31 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 12.0 t80 -64.01 -47.02 81.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.414 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.494 HD23 HD12 ' A' ' 90' ' ' LEU . 36.7 mt -68.82 -31.11 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.612 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -74.61 -24.15 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m -82.16 -32.38 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.811 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 87' ' ' LEU . 89.4 mt -68.12 -46.36 71.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.222 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.686 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 52.1 m-85 -129.07 92.29 39.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.88 -16.37 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.285 2.657 . . . . 0.0 113.303 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -96.69 13.5 28.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.429 0.633 . . . . 0.0 109.785 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.59 114.21 2.12 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.409 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.564 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 77.2 Cg_exo -50.8 -60.1 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.106 2.537 . . . . 0.0 112.348 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.32 79.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -57.36 -54.02 51.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.037 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 14.7 mm100 -79.12 -30.54 43.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.397 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.72 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 28.6 p -70.68 -29.79 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.268 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.544 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 58.7 ttt85 -49.52 -52.44 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.884 175.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.422 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . 22.8 m-85 -81.23 -25.7 36.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 100' ' ' CYS . . . -75.15 -16.39 60.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.514 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.438 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.63 1.94 63.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.472 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 68.0 mt -80.28 117.87 69.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 110.147 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.95 80.22 2.69 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.512 . . . . 0.0 114.094 -172.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HD2' ' OE1' ' A' ' 17' ' ' GLU . 80.0 tttt 64.56 92.03 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.359 166.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.546 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 54.5 Cg_endo -99.09 41.99 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.948 3.099 . . . . 0.0 112.463 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.0 m -71.4 91.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.149 0.499 . . . . 0.0 111.362 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.72 121.84 5.71 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.569 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.7 m -82.76 -30.99 28.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.223 0.535 . . . . 0.0 110.068 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.093 178.434 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tmm? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.86 0.362 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -148.33 -75.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.625 0.25 . . . . 0.0 110.468 178.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.33 -179.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -143.01 129.12 19.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.61 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' A' ' 12' ' ' PHE . 32.6 pt -99.4 128.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.42 108.89 21.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.902 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.1 t -115.31 98.02 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.601 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.41 -65.3 0.3 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.639 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.34 0.73 0.95 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.184 -1.007 . . . . 0.0 113.501 -176.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -130.82 136.21 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.409 0.604 . . . . 0.0 111.312 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -93.79 113.1 25.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.573 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.402 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.5 m-85 -91.45 118.93 30.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.504 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 27.6 m -119.68 157.94 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.244 0.545 . . . . 0.0 111.37 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.5 166.61 18.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.412 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.73 -20.0 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 0.18 56.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.774 174.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.47 22.64 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.613 175.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -99.75 137.32 38.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.19 0.495 . . . . 0.0 110.444 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 61.1 tp -71.16 117.79 13.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 109.923 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 t -91.81 31.67 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.057 0.456 . . . . 0.0 110.671 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -159.33 88.3 0.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.971 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD11 ' HD3' ' A' ' 106' ' ' PRO . 65.9 mt -81.79 96.82 7.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.239 0.542 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -164.48 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.871 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.03 -88.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.548 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.462 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 87.3 t90 58.82 102.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.424 0.631 . . . . 0.0 111.32 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 29.4 m -96.43 160.64 29.17 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 173.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 9.6 Cg_endo -53.37 -33.14 65.14 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.514 2.143 . . . . 0.0 111.979 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.66 -31.14 63.37 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.904 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.97 -50.24 81.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.985 0.392 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 -42.45 87.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 32.9 t70 -61.46 -49.7 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.089 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 79.7 t -66.57 -39.17 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 0.0 110.686 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.06 -51.02 71.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.098 0.475 . . . . 0.0 110.482 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.97 74.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 13.5 ttmm -61.66 -33.49 74.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 25.8 mt-30 -60.97 -34.62 75.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.53 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' CG ' HH12 ' A' ' 101' ' ' ARG . 4.2 m-20 -89.97 0.25 57.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.536 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 67.49 19.74 9.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.708 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.09 131.47 35.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.45 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.57 126.88 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -86.26 117.96 25.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.5 p -98.78 -170.74 1.98 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.191 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.72 -50.32 66.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.187 0.518 . . . . 0.0 110.788 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 49' ' ' ILE . 14.9 mp0 -66.72 -36.47 82.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.06 -178.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -62.57 -52.61 62.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.579 0.228 . . . . 0.0 110.714 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -59.16 -37.88 78.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.39 -48.96 75.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.099 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.1 mm -62.5 -46.56 96.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.926 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.0 -47.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.779 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 62.9 t30 -63.66 -44.17 94.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.461 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.57 -39.96 77.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.836 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.662 HD21 HD13 ' A' ' 69' ' ' LEU . 18.6 mt -62.32 -42.9 99.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.407 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 55.0 ttt180 -63.73 -46.42 85.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 17.8 mm-40 -52.29 -50.44 62.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.397 0.618 . . . . 0.0 110.666 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.96 -47.53 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.063 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.26 -31.28 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.703 0.287 . . . . 0.0 111.547 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.52 -27.98 62.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 110.404 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -91.04 -49.37 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.506 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -90.53 -25.43 20.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.66 23.48 13.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.469 0.652 . . . . 0.0 110.069 -170.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.17 128.37 73.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.979 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.39 116.13 66.05 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.597 0.236 . . . . 0.0 110.451 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.68 126.5 17.62 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.833 2.355 . . . . 0.0 112.732 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.94 -175.61 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.138 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.0 t -56.26 -48.81 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.632 0.253 . . . . 0.0 111.569 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.0 -45.33 86.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.994 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.159 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD13 HD21 ' A' ' 53' ' ' LEU . 59.5 tp -64.18 -51.53 63.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.1 m -59.43 -37.83 79.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.5 -39.33 93.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.951 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.62 -42.07 64.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.654 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 69' ' ' LEU . 95.6 t -58.94 -37.47 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.53 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -64.74 -15.56 60.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.242 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -109.15 -32.41 7.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.84 0.32 . . . . 0.0 111.231 177.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 76' ' ' LYS . 2.2 tmtp? -64.91 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.4 mm? -86.52 14.68 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.089 0.471 . . . . 0.0 110.796 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.34 -103.63 2.07 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.694 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -132.72 12.68 4.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.989 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 81' ' ' LYS . 14.5 tt0 -136.17 164.61 27.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.963 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 80' ' ' GLU . 62.7 mttp 74.1 -56.89 0.63 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.407 0.683 . . . . 0.0 112.623 173.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.53 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -54.89 103.55 0.21 Allowed Glycine 0 CA--C 1.519 0.328 0 O-C-N 123.205 0.316 . . . . 0.0 113.527 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.04 160.69 39.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 p -61.77 -43.82 98.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.982 0.42 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.2 -37.92 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.559 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' OH ' ' HG2' ' A' ' 45' ' ' GLU . 74.2 t80 -63.02 -42.66 99.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.786 -177.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 3.9 mm? -65.6 -37.47 86.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.13 -24.93 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 111.035 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.7 m -82.1 -20.48 38.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 110.547 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 95.4 mt -82.31 -50.14 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.785 174.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 35.6 m-85 -127.63 97.19 31.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.988 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.33 -26.96 55.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.032 2.488 . . . . 0.0 113.128 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -90.74 27.21 1.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.143 0.497 . . . . 0.0 110.673 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.45 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 107.78 114.49 3.83 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.885 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.2 Cg_endo -50.83 -64.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.281 2.654 . . . . 0.0 112.714 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.2 61.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -63.45 -54.86 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.322 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.563 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 10.5 mm-40 -67.17 -44.77 78.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.877 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.926 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.6 p -65.81 -37.71 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.413 HH12 ' CG ' ' A' ' 38' ' ' ASP . 40.7 ttt180 -58.41 -46.61 86.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.28 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -67.74 -29.29 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.13 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.82 -10.09 49.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.926 0.393 . . . . 0.0 111.258 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 80.76 21.87 62.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.647 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 71.7 mt -84.27 143.81 42.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.624 0.25 . . . . 0.0 110.849 -178.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 105' ' ' LEU . 24.7 Cg_exo -63.23 163.48 23.02 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.709 2.273 . . . . 0.0 111.508 174.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.493 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 93.8 mttt -63.73 112.74 7.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.476 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 11.2 Cg_exo -71.06 -32.95 12.46 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.274 2.649 . . . . 0.0 112.487 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 50.9 m -110.13 107.7 17.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.586 -178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.77 44.95 1.16 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.36 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.6 m -78.45 77.66 4.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 0.0 110.166 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.138 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.976 0.417 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 14' ' ' VAL . . . -159.31 175.97 12.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.344 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -108.91 159.6 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 p -123.24 116.96 24.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.404 HD11 HG13 ' A' ' 30' ' ' VAL . 33.2 pt -89.15 131.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -103.8 99.62 9.4 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.452 HG22 HG21 ' A' ' 33' ' ' VAL . 47.6 t -94.18 113.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.583 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 68.66 -74.36 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.811 0.694 . . . . 0.0 110.396 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.87 20.1 0.43 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -120.09 122.5 41.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -90.89 115.09 27.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.388 . . . . 0.0 110.624 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.29 127.91 50.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.37 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.42 123.03 25.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.728 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 20' ' ' LEU . 27.3 m -128.89 143.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.52 162.94 26.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.01 -16.34 63.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.35 -8.35 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.692 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.86 17.88 33.95 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.133 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.553 ' OH ' ' HG3' ' A' ' 97' ' ' LYS . 76.3 m-85 -94.57 125.77 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.083 0.441 . . . . 0.0 111.492 -177.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.554 ' HA ' HG12 ' A' ' 14' ' ' VAL . 62.2 tp -58.38 117.85 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -95.95 12.12 31.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -138.94 92.15 2.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.649 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -84.49 93.63 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.056 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -146.94 -62.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.7 -81.13 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.3 t90 65.8 109.43 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.824 0.85 . . . . 0.0 112.147 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.36 157.63 38.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.641 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.72 -26.44 56.3 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.892 2.395 . . . . 0.0 112.244 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.47 -36.02 90.25 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.181 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 5' ' ' ILE . 57.4 t -59.09 -42.18 85.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 121.009 0.433 . . . . 0.0 110.241 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.92 70.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.937 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.38 -42.44 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.69 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.452 HG21 HG22 ' A' ' 7' ' ' VAL . 77.7 t -60.69 -41.95 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.279 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.9 mtm -75.5 -34.08 60.82 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.645 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.52 91.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.241 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -60.88 -37.72 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.86 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -69.63 -27.51 65.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.76 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.42 -6.37 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.572 0.701 . . . . 0.0 109.752 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.9 42.49 12.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.713 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -113.74 122.86 48.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.41 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.14 120.62 26.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.279 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -83.64 105.98 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.496 HG22 ' OE2' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.96 175.54 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.308 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' OE2' HG22 ' A' ' 43' ' ' THR . 1.8 mp0 -58.07 -38.04 75.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.309 0.504 . . . . 0.0 110.732 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.96 -38.58 91.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.076 0.465 . . . . 0.0 110.359 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.561 ' O ' HG12 ' A' ' 50' ' ' ILE . 63.1 m80 -64.97 -48.15 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -60.29 -29.81 69.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.012 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.03 -49.25 76.76 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.67 -44.34 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.832 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 46' ' ' HIS . 48.2 mm -59.12 -49.49 83.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HZ ' ' HB1' ' A' ' 72' ' ' ALA . 86.6 t80 -59.76 -44.55 93.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.466 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 69' ' ' LEU . 24.0 mt -68.79 -29.11 67.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.2 -53.2 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.34 -34.09 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.918 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.88 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.1 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -75.43 -32.56 60.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.519 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.47 -47.48 72.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.84 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -95.17 -58.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.777 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -73.21 -23.21 60.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -172.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 59.12 35.08 23.64 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.937 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -140.71 141.38 32.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.43 56.88 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.61 148.29 32.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.42 2.08 . . . . 0.0 113.002 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.533 ' HB2' ' HA3' ' A' ' 110' ' ' GLY . . . -84.76 -177.27 6.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG22 ' HG2' ' A' ' 95' ' ' PRO . 75.3 t -56.73 -54.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.963 -174.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.08 -39.42 79.08 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.156 -0.217 . . . . 0.0 110.825 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -48.55 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 53' ' ' LEU . 59.1 tp -63.25 -48.86 76.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.981 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -59.78 -37.51 79.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.099 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -64.66 -39.56 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.006 0.432 . . . . 0.0 110.068 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -71.34 -36.7 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.572 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.597 HG13 HD23 ' A' ' 77' ' ' LEU . 79.6 t -62.51 -45.2 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.01 -20.4 66.81 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.511 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -77.44 -31.21 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.762 0.315 . . . . 0.0 110.491 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -96.63 -50.12 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.343 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.597 HD23 HG13 ' A' ' 73' ' ' VAL . 3.7 mm? -78.77 -14.41 59.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 0.0 111.134 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.78 153.23 28.24 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.632 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -71.65 -14.8 62.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.252 0.549 . . . . 0.0 110.461 -177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.87 -9.72 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.336 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -124.62 -38.31 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.76 79.82 1.53 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.234 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.571 ' O ' ' HB3' ' A' ' 86' ' ' TYR . 18.6 t-20 -100.13 164.6 11.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -64.36 -43.58 94.09 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.324 0.583 . . . . 0.0 110.07 176.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.01 -26.25 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.98 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' HB3' ' O ' ' A' ' 83' ' ' ASN . 90.7 t80 -60.49 -42.34 96.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.728 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.941 178.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -67.85 -28.03 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 111.033 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.1 t -71.04 -42.03 70.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.26 -46.05 52.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 0.0 110.805 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.663 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 71.6 m-85 -128.2 98.46 26.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.5 -45.88 3.2 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.864 2.376 . . . . 0.0 113.354 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -83.12 59.36 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.635 0.731 . . . . 0.0 110.268 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 88.75 104.87 1.02 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.854 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.754 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.5 Cg_endo -49.34 -56.93 2.69 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.32 2.68 . . . . 0.0 112.995 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.47 -37.91 59.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.553 ' HG3' ' OH ' ' A' ' 19' ' ' TYR . 56.6 tttp -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.32 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.7 mm-40 -66.99 -51.85 49.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.71 87.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.986 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 14.0 p -69.24 -36.49 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.348 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -47.16 84.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.633 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.497 ' HB2' HD12 ' A' ' 50' ' ' ILE . 21.4 m-85 -68.96 -30.52 68.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.914 0.388 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.72 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.985 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.62 10.12 86.47 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.469 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.669 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 89.6 mt -80.63 157.69 71.92 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.422 0.153 . . . . 0.0 110.597 -176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.17 -174.27 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.938 2.425 . . . . 0.0 112.74 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.56 116.05 54.79 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.398 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.5 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 89.5 Cg_endo -88.8 101.79 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.982 2.455 . . . . 0.0 112.64 -176.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.8 m -96.08 -29.2 14.23 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.533 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . 76.85 18.56 78.72 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.07 177.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 67.4 m -125.75 105.12 8.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.775 0.321 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.509 178.811 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.47 -168.48 0.2 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.685 0.616 . . . . 0.0 109.615 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -166.72 173.53 9.5 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.476 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 13' ' ' ALA . 34.0 p -132.67 129.25 38.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.452 HD11 HG13 ' A' ' 30' ' ' VAL . 29.9 pt -98.03 134.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.54 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.28 104.15 16.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 110.153 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.18 92.84 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.82 42.09 10.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.73 0.776 . . . . 0.0 110.266 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.51 -18.55 51.99 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.925 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -91.0 121.63 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.4 131.18 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 0.0 112.169 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -119.95 117.17 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.719 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.42 125.73 27.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -120.33 157.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.272 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.76 157.4 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.74 -17.96 64.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.954 0.407 . . . . 0.0 110.644 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 mm-40 -86.58 2.56 47.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.563 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.87 -14.48 60.18 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.915 172.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -77.36 134.88 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.165 0.483 . . . . 0.0 109.988 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.024 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 69.0 tp -59.08 131.86 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.513 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.2 t -103.16 0.75 32.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.85 107.0 9.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.5 mt -99.55 24.4 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.278 0.561 . . . . 0.0 110.267 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.96 -30.78 28.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.175 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -130.3 -79.63 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.079 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.8 t90 69.31 124.48 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.865 0.84 . . . . 0.0 112.026 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.2 159.77 68.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.354 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.55 -32.32 63.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.5 66.48 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.087 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 5' ' ' ILE . 88.8 t -60.89 -50.2 81.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.865 0.332 . . . . 0.0 110.446 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.63 -36.5 78.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.729 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 20.9 t70 -61.7 -52.41 64.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.53 -39.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 46.3 ttm -65.17 -54.24 32.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.213 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.92 69.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 27.2 ttmt -62.69 -36.55 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.142 177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -69.18 -37.12 78.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.107 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.97 -2.39 43.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.026 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 64.16 31.45 13.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -105.22 122.16 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -82.18 109.45 16.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.13 113.59 20.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.6 p -96.63 -173.49 2.76 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.26 -38.73 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 49' ' ' ILE . 57.1 mp0 -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -65.6 -49.42 68.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.99 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -56.68 -39.85 74.52 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.07 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.16 -45.74 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 51.5 mm -65.15 -43.45 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.809 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.41 -52.06 65.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.232 0.539 . . . . 0.0 110.429 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -61.14 -39.52 90.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.713 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 34.6 t80 -60.79 -42.46 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.885 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 53' ' ' LEU . 27.4 mt -61.67 -36.9 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.307 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.77 -54.99 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.703 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -45.35 93.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.373 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.81 -44.83 90.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.927 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.86 -42.69 63.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.73 -22.53 61.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 111.042 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.89 -59.1 2.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.82 -8.04 55.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.934 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 60.69 37.21 19.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 111.612 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.7 tt -144.92 134.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.87 116.09 65.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.63 127.77 9.03 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.236 1.958 . . . . 0.0 113.359 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB1' ' SG ' ' A' ' 111' ' ' CYS . . . -70.96 175.52 5.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.805 173.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.07 -44.97 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.91 0.386 . . . . 0.0 111.267 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -68.96 -19.78 64.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.344 -177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.0 t -94.52 -37.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.208 0.528 . . . . 0.0 110.613 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 73' ' ' VAL . 42.1 tp -61.93 -37.49 84.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.831 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 p -58.51 -36.84 74.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 111.391 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -73.85 -39.31 64.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.734 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.41 82.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.101 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 69' ' ' LEU . 95.5 t -62.85 -38.54 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.85 -17.74 73.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.88 -28.26 19.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.27 . . . . 0.0 110.839 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 62.1 tttm -96.57 -55.17 3.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.273 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.9 tp -76.68 -62.41 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.439 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.51 142.7 4.65 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.644 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -66.81 -26.77 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.968 0.414 . . . . 0.0 110.925 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -76.78 -27.24 55.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.28 -4.37 25.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.587 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.83 69.3 3.08 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.078 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -61.76 -36.88 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.323 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -63.17 -36.38 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.601 -177.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.15 -37.49 87.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 43.3 mt -72.58 -33.06 66.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -71.92 -24.09 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.403 . . . . 0.0 110.4 174.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 m -76.51 -30.29 57.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.9 mt -77.06 -55.35 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.868 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.584 ' HB3' ' HG3' ' A' ' 98' ' ' GLN . 62.7 m-85 -122.21 106.45 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 -177.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.82 -22.27 23.81 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.834 2.356 . . . . 0.0 113.006 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -96.37 17.21 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 104.5 108.82 3.34 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.696 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.3 Cg_endo -49.41 -45.45 30.51 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.566 2.844 . . . . 0.0 113.333 -176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.286 0.366 . . . . 0.0 111.516 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 40.8 mttp -56.37 -43.48 79.22 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.584 ' HG3' ' HB3' ' A' ' 91' ' ' PHE . 23.5 mm-40 -65.42 -56.32 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 0.0 111.21 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.816 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -65.45 -37.32 86.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 22.7 ttt180 -52.62 -52.45 55.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.881 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -76.45 -25.03 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.4 -13.15 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.474 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 1.024 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 98.79 10.31 50.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.0 mt -96.71 131.98 27.04 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 120.665 0.269 . . . . 0.0 110.287 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.24 -171.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.565 2.177 . . . . 0.0 111.899 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -65.82 109.24 2.9 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.072 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -95.88 13.55 1.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.31 2.674 . . . . 0.0 112.812 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.8 p 48.74 51.56 15.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.375 0.607 . . . . 0.0 110.989 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -83.53 78.35 2.02 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.182 -174.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.428 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 64.5 m 72.24 -58.72 0.58 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.472 0.709 . . . . 0.0 111.81 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 110.405 179.403 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.89 -81.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.867 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -117.62 -173.79 2.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 1.9 p -133.58 121.89 22.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.869 0.366 . . . . 0.0 110.401 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 12' ' ' PHE . 30.5 pt -89.85 127.22 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.403 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 44.7 tt0 -91.08 106.68 18.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.03 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.49 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 63.93 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.789 0.68 . . . . 0.0 111.273 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.38 22.98 2.86 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.127 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 99.8 mttt -121.13 142.56 49.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -110.18 107.14 16.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.951 0.405 . . . . 0.0 110.068 174.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.7 m-85 -93.78 116.5 28.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.69 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.41 107.99 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 35.2 m -115.25 168.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.671 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.0 179.66 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.46 -42.92 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -168.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -89.22 6.52 39.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.7 65.55 1.05 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.035 176.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -142.53 119.65 11.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 2.4 pt? -73.55 119.49 17.85 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.557 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.86 -18.95 61.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.859 -174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.04 91.79 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.89 85.5 6.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.339 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -158.01 -69.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.01 43.12 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.247 0.546 . . . . 0.0 111.388 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -66.51 118.11 9.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.45 160.87 40.04 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.6 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.87 -36.19 62.49 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.89 2.394 . . . . 0.0 112.673 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -35.43 66.98 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.728 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.41 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.005 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -58.78 -51.28 70.66 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.775 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 90.3 t -64.59 -40.36 88.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.16 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.625 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -66.72 -27.91 68.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.232 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.82 -26.39 63.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 33' ' ' VAL . 15.6 mm100 -75.15 -45.43 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.66 -14.51 56.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 0.0 110.533 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 67.55 70.82 0.35 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.997 0.903 . . . . 0.0 110.775 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.625 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 9.5 tt -152.54 107.55 3.23 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.242 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.56 119.23 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.989 -173.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.07 109.97 8.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.472 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 44' ' ' GLU . 1.3 m -101.39 -178.15 3.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' H ' HG22 ' A' ' 43' ' ' THR . 56.1 mt-10 -52.94 -42.93 65.9 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.685 0.279 . . . . 0.0 111.653 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 49' ' ' ILE . 8.4 mp0 -60.14 -46.08 90.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -65.26 -47.38 76.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.092 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -59.03 -39.32 81.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.402 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.93 -40.54 97.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.7 mm -71.3 -45.11 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 103' ' ' ALA . 92.9 mt -62.9 -47.53 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.229 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -67.55 -32.56 73.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.22 -45.8 91.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.971 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.641 HD21 HD13 ' A' ' 69' ' ' LEU . 46.4 mt -63.99 -37.89 89.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 54' ' ' ARG . 8.1 ttt180 -56.54 -55.99 26.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 176.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 58' ' ' GLU . 35.5 mt-10 -72.3 -24.39 61.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.348 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.11 -44.03 96.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.392 0.615 . . . . 0.0 109.36 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -73.56 -34.81 65.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.797 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' HB3' ' HA ' ' A' ' 55' ' ' GLU . 11.2 tp10 -56.82 -47.86 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.588 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -84.21 -56.09 3.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -92.15 -13.43 30.68 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -169.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 59.77 28.72 18.23 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.1 tt -135.67 141.18 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.742 0.306 . . . . 0.0 110.553 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.39 116.36 65.89 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.863 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.75 132.9 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.351 2.034 . . . . 0.0 112.651 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.38 172.26 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.635 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.87 -47.28 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.305 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 67' ' ' ARG . 43.6 mtp-105 -59.74 -44.58 93.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.26 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.32 -41.74 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.641 HD13 HD21 ' A' ' 53' ' ' LEU . 58.1 tp -61.97 -39.06 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -57.08 -36.36 70.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.009 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -83.6 -42.97 16.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.746 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.75 88.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.48 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.727 HG13 HD23 ' A' ' 77' ' ' LEU . 1.1 t -65.98 -22.91 31.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.47 -48.15 66.25 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.065 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -65.99 -17.08 64.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.758 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -87.5 -35.14 18.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.921 0.391 . . . . 0.0 110.375 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD23 HG13 ' A' ' 73' ' ' VAL . 4.6 mm? -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.79 -127.14 7.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.028 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -121.72 -24.47 5.28 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.585 -0.362 . . . . 0.0 110.089 175.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.13 -62.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.112 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 77' ' ' LEU . 62.2 mttp -88.88 -171.49 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -174.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 86' ' ' TYR . . . 111.93 -122.88 6.16 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -168.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 66.23 170.02 0.23 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.324 0.583 . . . . 0.0 111.705 169.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 p -85.47 -44.95 12.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.747 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.47 -41.97 86.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.502 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 54.4 t80 -59.0 -44.82 91.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.839 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 50.2 mt -72.57 -30.74 64.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -71.62 -34.95 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.973 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -73.65 -18.89 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.426 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 56.4 mt -79.81 -54.21 6.06 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.66 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 67.4 m-85 -123.46 104.04 34.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.99 -42.39 30.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.321 2.681 . . . . 0.0 113.824 -173.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.68 -1.04 25.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.778 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.47 122.0 2.26 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.839 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 66.2 Cg_exo -50.82 -62.29 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.393 2.728 . . . . 0.0 112.892 -175.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.45 -36.88 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.122 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.26 -50.46 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.628 -173.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 15.6 mm100 -68.85 -41.26 78.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.791 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.9 88.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.76 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.3 p -69.22 -26.06 64.62 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.63 -40.09 92.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.263 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.86 -29.87 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.483 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -79.2 -16.25 56.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.151 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.497 ' HA3' ' CD2' ' A' ' 20' ' ' LEU . . . 85.26 8.69 81.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.786 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.76 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 93.4 mt -74.16 142.22 78.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.539 0.209 . . . . 0.0 110.616 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.46 134.5 61.59 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.342 2.028 . . . . 0.0 111.158 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -51.07 114.24 4.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 O-C-N 123.74 0.65 . . . . 0.0 111.81 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.69 33.71 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.269 2.646 . . . . 0.0 112.424 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.7 m -135.52 97.16 3.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.066 0.46 . . . . 0.0 110.418 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.09 -120.47 3.25 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.87 136.6 30.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.7 0.286 . . . . 0.0 110.336 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.05 -178.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.733 0.301 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 p -113.73 133.42 55.36 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.422 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.455 HD11 HG13 ' A' ' 30' ' ' VAL . 35.4 pt -89.72 163.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.475 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -106.4 110.31 22.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.022 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.4 112.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.06 22.8 13.04 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.383 0.427 . . . . 0.0 111.165 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.74 85.39 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.897 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.83 141.59 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.91 107.54 19.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -99.19 132.2 44.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.1 118.03 21.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.293 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 20' ' ' LEU . 25.2 m -124.62 151.77 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.717 176.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.48 150.86 48.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.92 -17.08 64.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.9 -11.34 59.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.3 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 96.47 39.31 4.23 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.162 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 79.8 m-85 -129.23 120.43 25.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.531 ' HA ' HG12 ' A' ' 14' ' ' VAL . 54.2 tp -57.4 120.1 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.993 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -93.78 -33.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 110.202 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -79.52 82.17 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.608 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -85.76 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.727 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -102.23 7.9 40.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.356 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -159.37 -86.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.853 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.7 t90 67.53 109.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.417 0.687 . . . . 0.0 111.399 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.43 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.9 m -116.13 163.35 21.84 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.669 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 52.3 Cg_exo -53.65 -34.35 73.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.726 2.284 . . . . 0.0 112.574 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -59.6 -34.64 82.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.348 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 5' ' ' ILE . 91.1 t -59.57 -51.67 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.035 0.445 . . . . 0.0 110.339 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.79 -46.51 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 29' ' ' GLY . 81.5 t -64.12 -36.57 77.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.918 0.39 . . . . 0.0 110.926 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.466 ' HE3' ' HA ' ' A' ' 102' ' ' PHE . 69.4 mtm -71.37 -31.65 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.829 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -72.22 -39.27 68.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.47 -37.83 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.074 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.16 -14.37 61.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.61 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.34 -10.71 16.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.121 0.486 . . . . 0.0 109.96 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.44 33.95 8.43 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.934 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 8.0 tt -108.63 123.91 49.68 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.75 0.31 . . . . 0.0 110.359 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -105.24 106.44 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.515 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -92.04 -175.55 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.8 -26.41 68.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -66.15 -48.27 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.918 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 50' ' ' ILE . 75.1 m80 -63.41 -48.71 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.524 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.25 -32.44 72.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.901 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.3 -43.36 86.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -69.36 -43.31 81.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.109 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 46' ' ' HIS . 86.9 mt -59.98 -48.6 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.567 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.07 -35.02 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.85 -52.67 64.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 69' ' ' LEU . 68.8 mt -62.19 -39.95 94.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.727 0.299 . . . . 0.0 111.095 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 tpt85 -57.52 -50.62 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.456 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.24 -47.91 66.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.885 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.5 -48.86 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.982 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -66.86 -35.4 79.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 110.673 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.22 -37.68 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.672 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.3 -41.27 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -94.0 -20.58 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 66.67 18.38 10.72 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.502 0.501 . . . . 0.0 110.72 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -116.87 134.08 61.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.191 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.56 111.48 61.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.32 118.59 5.7 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.744 2.296 . . . . 0.0 112.718 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.03 177.03 4.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.941 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.66 -34.79 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.708 0.29 . . . . 0.0 111.485 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 67' ' ' ARG . 12.8 mmt180 -68.79 -30.92 69.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -86.94 -46.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.745 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 53' ' ' LEU . 50.8 tp -53.55 -48.81 68.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -56.93 -34.92 68.47 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.713 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.49 -49.53 18.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.375 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.78 80.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.776 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.84 -31.74 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' H ' ' A' ' 82' ' ' GLY . . . -59.48 -41.76 97.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.414 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -83.83 -37.37 22.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.421 . . . . 0.0 111.008 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -69.28 -57.33 5.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.551 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -68.87 -43.14 75.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.609 -171.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -159.34 -135.43 1.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.302 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -91.39 -54.16 4.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 0.0 110.667 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.08 35.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.35 0.595 . . . . 0.0 109.559 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -70.68 -14.9 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.305 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.405 ' H ' ' HA2' ' A' ' 74' ' ' GLY . . . -76.54 80.38 1.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.208 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 146.56 39.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.594 0.235 . . . . 0.0 110.49 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.419 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 8.1 m -57.68 -47.77 81.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.136 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.23 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -61.52 -43.97 97.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.769 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.75 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.0 mm? -64.92 -39.31 93.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.248 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 84' ' ' SER . 35.6 m-85 -72.77 -21.61 60.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 111.471 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 m -81.57 -22.09 38.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.045 0.45 . . . . 0.0 110.351 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.05 -47.07 8.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.56 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.3 m-85 -121.57 92.55 48.71 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.193 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.03 -4.96 16.14 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 123.146 2.564 . . . . 0.0 113.026 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -97.32 -15.29 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 138.68 102.39 0.56 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.75 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 1.3 Cg_endo -41.55 -70.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 124.371 3.381 . . . . 0.0 114.809 -170.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.23 90.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.44 -39.17 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.207 0.527 . . . . 0.0 110.844 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -74.82 -38.59 62.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.98 70.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 21.9 p -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.741 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 16.0 ttt180 -53.07 -49.33 66.61 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.29 0.369 . . . . 0.0 110.983 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.466 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 22.8 m-85 -76.61 -29.38 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 111.305 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.44 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.35 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 84.73 21.33 56.25 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.256 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 66.1 mt -95.86 148.9 35.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.65 167.28 24.74 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.443 2.096 . . . . 0.0 111.744 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.8 ttmt -59.23 112.66 5.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 61.1 Cg_endo . . . . . 0 N--CA 1.449 -1.1 0 C-N-CA 123.258 2.638 . . . . 0.0 112.998 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -125.79 117.51 23.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.888 0.375 . . . . 0.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' ' 12' ' ' PHE . 31.3 pt -94.18 127.97 45.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.075 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.62 99.34 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.548 . . . . 0.0 109.798 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 60.2 t -122.29 124.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.771 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.49 7.65 6.34 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.357 0.599 . . . . 0.0 110.907 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.95 -3.82 58.8 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 5.0 ttmp? -106.06 132.77 51.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 0.0 110.531 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -80.96 107.94 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 5' ' ' ILE . 87.3 m-85 -91.6 110.66 21.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.749 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.05 121.32 20.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.469 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 20' ' ' LEU . 32.6 m -121.78 144.63 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.833 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.83 165.41 15.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.48 -27.59 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.76 -6.3 48.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.03 39.27 8.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.621 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -126.07 142.93 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.604 0.24 . . . . 0.0 110.612 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.528 ' HA ' HG12 ' A' ' 14' ' ' VAL . 56.0 tp -67.83 114.53 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.156 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -81.29 -23.03 38.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.05 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -105.1 97.26 7.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.532 HD21 ' O ' ' A' ' 104' ' ' GLY . 79.2 mt -97.51 35.87 1.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.193 0.52 . . . . 0.0 110.737 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -71.35 -40.89 70.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.888 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 28.8 t70 -138.5 -64.32 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -174.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.431 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 88.0 t90 71.91 124.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 111.152 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 27.6 m -120.36 157.77 52.79 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.926 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 11.8 Cg_endo -56.18 -31.2 82.79 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.992 2.462 . . . . 0.0 112.468 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.47 -30.49 71.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.692 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 5' ' ' ILE . 92.4 t -62.87 -46.86 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.964 0.411 . . . . 0.0 109.922 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.13 95.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.931 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.03 -36.54 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.226 0.536 . . . . 0.0 110.953 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.454 ' HE3' ' HA ' ' A' ' 102' ' ' PHE . 20.7 ttp -76.9 -20.3 56.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.265 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.38 52.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.004 0.431 . . . . 0.0 110.263 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -63.05 -24.58 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.151 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.93 -32.58 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.18 6.39 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 61.29 23.64 13.84 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.513 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -92.16 111.1 22.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.071 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -74.15 114.62 12.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.905 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 110.15 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.481 . . . . 0.0 110.794 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -91.66 179.39 5.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.135 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.36 -31.91 72.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.461 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.07 -42.45 84.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.949 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -63.88 -49.62 71.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.626 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -61.1 -29.77 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.393 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.88 -41.24 83.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.7 mm -67.62 -43.32 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.4 -44.84 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.274 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.18 -45.74 75.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.13 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 77.8 t80 -57.53 -57.62 11.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.021 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 105' ' ' LEU . 33.9 mt -64.4 -31.88 73.27 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -60.93 2.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -15.67 48.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.552 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -66.56 -44.32 82.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 87.3 t80 -74.94 -33.72 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.06 -48.71 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.729 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -80.63 -46.7 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.747 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -92.07 -26.17 18.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -174.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 86.7 mm-40 64.83 26.68 12.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.357 0.599 . . . . 0.0 110.826 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.5 133.9 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.546 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.41 111.01 64.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.45 140.37 21.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.306 2.004 . . . . 0.0 113.317 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.14 175.38 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.297 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 7.8 p -67.11 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.003 -173.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -71.75 -35.11 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 109.938 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.55 -43.96 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.841 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.598 HD13 HD21 ' A' ' 53' ' ' LEU . 57.3 tp -57.95 -46.78 84.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.6 m -59.29 -42.05 90.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -69.69 -27.46 65.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.482 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.37 -34.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.8 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' LEU . 96.0 t -64.24 -35.76 74.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 14.54 4.76 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.303 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -124.5 -13.93 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.023 0.44 . . . . 0.0 110.236 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 57.9 tttm -102.46 -38.84 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.462 ' HB3' ' HD3' ' A' ' 81' ' ' LYS . 3.8 mm? -90.59 39.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.423 0.63 . . . . 0.0 110.662 -171.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.38 -89.16 0.72 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.842 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 6.1 mmpt? -141.08 -82.8 0.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 171.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.32 92.53 4.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.734 0.778 . . . . 0.0 111.826 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' HB3' ' A' ' 77' ' ' LEU . 84.3 tttt -128.37 -53.38 1.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.469 173.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.666 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -94.39 54.21 2.08 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.053 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -82.43 -36.02 27.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.2 t -159.64 -67.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.923 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -52.73 -49.19 65.91 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.535 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.666 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 28.5 t80 -48.67 -50.97 30.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.724 0.64 . . . . 0.0 112.157 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.56 -46.09 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.544 0.202 . . . . 0.0 111.544 -175.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -69.88 -13.51 62.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.302 . . . . 0.0 111.501 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.6 m -88.9 -40.41 13.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.544 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.1 mt -68.65 -43.18 76.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 110.372 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.511 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 21.3 m-85 -129.32 101.84 18.95 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.587 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.66 -51.29 6.32 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.112 2.542 . . . . 0.0 113.526 -174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.27 -56.27 4.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.88 109.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.312 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.511 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.2 Cg_exo -51.83 -51.87 10.23 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.217 2.611 . . . . 0.0 112.421 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 66' ' ' VAL . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.498 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.95 -47.29 85.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.383 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.27 -44.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.64 90.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.233 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.688 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.4 p -66.26 -42.8 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.352 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.6 -50.93 64.58 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-O 120.703 0.287 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.454 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 22.7 m-85 -65.51 -34.09 77.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.25 -175.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.46 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . . . -79.31 -6.18 56.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 88.24 0.47 82.7 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.249 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.688 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 20.1 mt -71.76 140.06 83.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.631 0.253 . . . . 0.0 110.792 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.9 147.43 95.49 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.316 2.011 . . . . 0.0 111.035 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 50.3 pttt -53.19 116.09 8.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 O-C-N 123.461 0.476 . . . . 0.0 111.118 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 3.4 Cg_exo . . . . . 0 N--CA 1.462 -0.378 0 C-N-CA 123.3 2.666 . . . . 0.0 112.196 -175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.7 t0 . . . . . 0 N--CA 1.46 0.052 0 CA-C-O 120.67 0.272 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 21.8 p -116.48 125.31 51.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.916 0.389 . . . . 0.0 111.061 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 19.9 pt -89.55 130.54 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.49 177.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -84.06 106.69 15.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.19 103.97 15.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.794 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.18 27.19 16.99 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.073 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.93 -21.9 19.73 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.489 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -109.6 140.8 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.18 0.49 . . . . 0.0 111.369 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.526 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 53.4 mt-30 -99.57 115.66 29.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.759 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.01 130.38 50.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.562 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.03 120.18 23.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.903 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 20' ' ' LEU . 27.1 m -125.86 160.53 32.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.176 176.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.557 ' OD2' ' HB2' ' A' ' 19' ' ' TYR . 18.0 p30 -83.39 173.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.866 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.9 pm0 -77.19 12.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -108.03 -25.21 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 6.71 9.46 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.825 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.557 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 38.4 m-85 -87.7 129.37 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.199 0.499 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 14' ' ' VAL . 51.8 tp -66.53 117.2 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.531 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -91.76 -25.29 19.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.234 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -81.57 75.76 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.28 94.5 8.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -154.98 -49.33 0.09 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.149 -174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -73.42 0.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.862 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.3 t90 66.41 118.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.621 0.724 . . . . 0.0 111.513 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.44 158.23 73.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.36 -34.28 59.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.819 2.346 . . . . 0.0 112.559 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.65 -32.41 61.48 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.664 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.22 -48.72 82.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.621 0.248 . . . . 0.0 110.377 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.28 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 17.1 t70 -62.62 -55.18 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.543 178.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.23 -39.57 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.893 0.377 . . . . 0.0 111.323 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 48.5 ttm -61.32 -49.9 75.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.578 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -68.34 -29.64 68.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.405 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 43.0 tttp -61.8 -45.97 91.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.694 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -78.35 -22.79 47.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.476 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.0 -11.98 54.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.3 t30 65.59 40.31 4.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.526 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 48.6 tp -115.9 103.32 10.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.273 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.85 131.22 44.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.252 0.548 . . . . 0.0 111.13 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.94 109.72 21.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -87.52 -176.18 5.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.058 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.18 -47.01 65.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.429 0.633 . . . . 0.0 110.51 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' ILE . 38.6 mt-10 -69.75 -37.52 76.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.035 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -60.93 -48.06 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.359 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -61.97 -35.76 79.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.397 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.37 -39.03 74.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.536 0.208 . . . . 0.0 111.098 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.8 mm -64.02 -44.81 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.302 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.33 -43.1 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.217 0.532 . . . . 0.0 109.81 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.08 -39.1 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.298 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.63 -47.45 85.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.561 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.14 -36.21 79.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.651 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -54.38 -50.39 67.64 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.663 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.02 -46.18 71.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.5 -46.79 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -67.39 -41.43 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.311 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.03 -33.95 76.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.983 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 -57.98 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.404 ' O ' HG13 ' A' ' 62' ' ' ILE . 79.5 m-85 -87.14 -21.38 26.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 64.66 22.89 12.7 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.649 0.38 . . . . 0.0 111.474 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 60' ' ' TYR . 66.8 mt -123.75 146.23 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.094 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.52 113.03 64.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.12 136.1 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.427 2.084 . . . . 0.0 112.618 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.71 170.08 14.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -32.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.927 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -68.28 -41.54 80.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.72 -39.02 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.277 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.9 tp -60.62 -55.11 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.794 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -57.9 -34.96 70.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.024 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.99 -45.4 89.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.672 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.84 -31.93 63.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.56 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.784 HG13 HD23 ' A' ' 77' ' ' LEU . 53.2 t -54.9 -39.24 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.049 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.0 -15.85 63.32 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.047 -0.597 . . . . 0.0 113.085 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.58 -14.03 16.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -102.55 -50.31 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -173.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.784 HD23 HG13 ' A' ' 73' ' ' VAL . 4.1 mm? -84.82 28.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.746 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.11 -125.06 6.3 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.172 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -146.11 -34.8 0.29 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.77 9.64 36.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.622 0.725 . . . . 0.0 109.911 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -125.45 102.82 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.504 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.89 73.77 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.55 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -139.17 176.73 8.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.749 0.309 . . . . 0.0 110.634 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -72.76 -35.47 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.692 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 85' ' ' LYS . 1.7 tmtp? -58.85 -47.85 83.42 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -56.85 -47.71 79.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.783 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 37.4 mt -71.85 -29.01 63.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.804 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.3 -20.99 56.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.796 0.332 . . . . 0.0 111.19 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -74.88 -32.32 61.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.11 -53.62 8.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.525 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 48.4 m-85 -126.83 99.31 29.48 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.086 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.18 -18.38 50.84 Favored 'Trans proline' 0 N--CA 1.472 0.212 0 C-N-CA 123.216 2.611 . . . . 0.0 112.977 -175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -92.7 2.08 56.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 116.78 118.08 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.435 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.783 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.7 Cg_endo -50.89 -54.63 5.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 123.365 2.71 . . . . 0.0 112.999 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.15 -52.72 64.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.825 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -70.13 -44.53 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.342 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.81 92.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.4 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.751 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 16.2 p -66.3 -32.67 74.21 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 101' ' ' ARG . 7.6 ttm180 -55.33 -51.54 66.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.485 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -66.17 -30.75 71.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.298 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . . . -86.92 -3.88 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.349 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 74.4 22.59 77.26 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.834 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.751 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 44.3 mt -87.73 139.23 31.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 O-C-N 122.74 -0.27 . . . . 0.0 110.605 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.0 141.52 86.37 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.749 2.299 . . . . 0.0 111.667 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -47.87 112.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.889 0.743 . . . . 0.0 111.996 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo . . . . . 0 C--N 1.346 0.421 0 C-N-CA 122.904 2.403 . . . . 0.0 111.871 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 N--CA 1.458 -0.073 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 1.6 p -142.54 125.08 15.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.922 0.391 . . . . 0.0 111.434 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.5 132.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.44 110.34 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.406 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.07 113.45 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.333 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 70.36 -70.88 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.934 0.771 . . . . 0.0 111.042 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.25 19.66 0.2 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.5 138.18 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.293 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 25.9 mt-30 -92.9 108.68 20.19 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.73 117.21 29.19 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.1 131.0 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.82 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.66 144.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.2 162.55 16.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.42 -24.56 45.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -98.25 7.92 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.21 49.86 5.08 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.552 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.711 ' HB3' ' HA ' ' A' ' 106' ' ' PRO . 91.5 m-85 -135.41 141.74 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.25 113.98 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 p -93.89 -22.31 18.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.086 0.47 . . . . 0.0 110.379 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -81.34 83.55 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.185 0.517 . . . . 0.0 110.489 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.33 74.58 10.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.144 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -111.68 -59.49 1.98 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.45 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -137.41 -50.49 0.62 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.655 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.2 t90 68.56 120.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.733 0.645 . . . . 0.0 111.035 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.13 150.39 42.39 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.661 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.66 -30.31 55.09 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 113.118 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.42 -26.95 62.58 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.657 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.53 -39.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.173 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.39 86.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.184 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.17 -54.71 42.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.532 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.3 p -66.08 -30.58 50.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.544 ' HG2' ' HG2' ' A' ' 101' ' ' ARG . 32.4 tpp -68.1 -50.84 52.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.37 -45.3 93.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.499 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 46.5 mt-30 -68.47 -38.56 81.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.49 -3.34 52.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.624 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 t30 60.33 56.66 3.13 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.75 0.786 . . . . 0.0 110.287 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -140.6 151.48 44.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.585 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -98.66 161.49 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -123.5 108.25 12.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.105 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -89.86 -174.89 4.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -56.08 -38.99 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.117 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.531 ' O ' HG12 ' A' ' 49' ' ' ILE . 45.6 mt-10 -75.6 -38.16 59.24 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.757 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.665 ' CD2' ' HG ' ' A' ' 90' ' ' LEU . 33.4 m80 -60.37 -50.9 71.75 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.556 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -60.36 -32.95 71.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.309 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.95 -49.09 73.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 45' ' ' GLU . 45.9 mm -61.52 -42.13 92.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.825 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' HIS . 91.0 mt -56.27 -52.09 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -67.0 -34.85 78.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.58 -44.29 96.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 69' ' ' LEU . 17.8 mt -64.44 -37.61 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.336 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 54' ' ' ARG . 22.1 ttt180 -60.53 -49.03 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.14 -40.22 96.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.12 -44.83 96.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.911 0.386 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -72.65 -40.63 66.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.801 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.28 -28.44 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.96 -56.59 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -96.11 -10.42 28.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.929 -170.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 62.46 27.74 16.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.712 0.405 . . . . 0.0 111.795 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tt -135.0 142.86 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.787 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.32 116.52 66.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.36 145.02 14.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.357 2.038 . . . . 0.0 113.123 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.0 176.84 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.405 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.88 -49.52 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.822 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -72.46 -33.36 66.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.91 -45.71 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.128 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.2 tp -60.49 -39.79 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.512 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 83' ' ' ASN . 58.0 m -50.86 -50.82 56.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.571 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.02 -30.46 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.032 0.444 . . . . 0.0 111.043 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.32 -36.35 66.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 69' ' ' LEU . 74.8 t -64.3 -39.35 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.611 178.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.93 -44.75 82.42 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.074 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -79.43 -11.15 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.578 -0.366 . . . . 0.0 111.19 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -73.95 -48.58 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.91 -43.93 70.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.226 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.21 -29.31 9.78 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.509 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -111.99 -169.37 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.07 87.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -151.3 87.31 1.38 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.914 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.613 ' HA2' ' HD2' ' A' ' 86' ' ' TYR . . . 139.41 81.85 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.027 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.432 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 27.4 t-20 -148.73 102.08 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t 55.34 -88.57 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -57.19 -29.42 63.67 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.953 0.501 . . . . 0.0 112.071 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.613 ' HD2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -58.72 -43.47 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 70.5 mt -80.28 -31.44 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.005 -176.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -69.53 -33.41 72.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.214 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.665 ' HG ' ' CD2' ' A' ' 46' ' ' HIS . 11.7 tp -67.25 -47.41 70.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 93.7 m-85 -118.08 99.02 51.89 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.435 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.53 -14.1 38.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.021 2.48 . . . . 0.0 112.704 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.421 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 41.4 m-85 -103.76 10.05 36.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.046 0.451 . . . . 0.0 110.545 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.96 111.64 2.54 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.831 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.743 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 86.6 Cg_exo -47.4 -66.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.582 2.855 . . . . 0.0 113.409 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.78 -40.62 83.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.759 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -61.46 -46.23 90.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 111.631 -173.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.421 ' HG3' ' HB2' ' A' ' 93' ' ' TYR . 11.6 mm100 -76.81 -42.13 41.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.16 90.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.337 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.748 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 19.7 p -69.55 -37.05 76.87 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.142 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.544 ' HG2' ' HG2' ' A' ' 34' ' ' MET . 26.7 ttm180 -57.75 -43.71 85.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -73.3 -30.46 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.54 -15.42 59.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.459 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.73 12.29 38.08 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.748 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 96.0 mt -93.56 152.39 40.85 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.596 0.236 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.711 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 70.2 Cg_endo -75.08 -166.83 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.076 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.0 tttm -81.24 112.94 37.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.363 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 2.9 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 C-N-CA 122.831 2.354 . . . . 0.0 112.082 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.0 t70 . . . . . 0 CA--C 1.534 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -132.15 126.15 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 pt -89.35 144.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.092 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -115.05 119.56 36.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.822 0.344 . . . . 0.0 110.427 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.72 84.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.52 72.62 0.47 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.808 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.76 -36.78 2.65 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.488 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -90.28 120.42 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.86 0.362 . . . . 0.0 110.197 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.9 143.9 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 111.618 -173.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' HE2' ' HB3' ' A' ' 25' ' ' ASP . 93.3 m-85 -128.0 140.45 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -86.67 128.64 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.897 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 3' ' ' ASP . 33.7 m -109.58 168.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 111.798 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.442 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 11.1 t70 -98.71 179.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.856 176.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -74.64 -18.56 60.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.608 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 32.7 mt-10 -78.99 -6.81 57.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.609 175.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.17 45.92 5.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.119 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.608 ' CD1' ' HB2' ' A' ' 17' ' ' GLU . 40.7 p90 -137.65 158.55 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.585 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 61.4 tp -67.46 125.37 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.124 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 30.3 t -97.53 -15.84 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -126.11 110.2 13.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.713 0.292 . . . . 0.0 111.558 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.51 HD11 HD23 ' A' ' 105' ' ' LEU . 78.6 mt -84.22 76.51 10.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.459 0.647 . . . . 0.0 109.962 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -109.02 7.89 26.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.122 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.549 ' HB3' ' HE2' ' A' ' 12' ' ' PHE . 35.7 t70 179.91 -79.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.325 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.567 ' HE3' HH11 ' A' ' 54' ' ' ARG . 73.6 t90 60.22 104.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.726 0.81 . . . . 0.0 111.891 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.6 m -108.48 162.96 18.07 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.616 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 73.2 Cg_exo -49.97 -38.88 49.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.769 2.313 . . . . 0.0 112.633 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.03 -32.46 66.83 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.898 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.55 -46.9 94.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.56 91.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.716 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.48 -50.67 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.113 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 82.8 t -56.99 -48.25 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.74 0.305 . . . . 0.0 110.512 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.443 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 42.1 ttm -60.62 -49.43 77.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.63 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.164 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 36' ' ' LYS . 3.5 ttmp? -74.26 -26.0 59.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 26.0 mt-30 -64.4 -41.64 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.144 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.887 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.35 61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.937 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 tp -116.71 129.08 55.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -75.13 130.29 38.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.143 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.86 100.51 11.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.578 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -88.18 177.07 6.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 175.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.497 ' H ' HG22 ' A' ' 43' ' ' THR . 10.3 pt-20 -57.77 -34.57 69.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' O ' HG12 ' A' ' 49' ' ' ILE . 41.6 mt-10 -76.23 -30.92 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.289 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -63.53 -49.35 73.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -57.25 -40.93 78.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.935 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.81 -41.79 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.0 mm -62.86 -49.13 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.435 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 103' ' ' ALA . 77.9 mt -59.76 -45.67 94.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 110.367 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.3 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.008 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 83.7 t80 -59.19 -37.92 78.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.878 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.564 ' HB3' HD11 ' A' ' 105' ' ' LEU . 30.1 mt -62.28 -44.81 95.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.567 HH11 ' HE3' ' A' ' 26' ' ' TRP . 5.7 ptm180 -72.46 -22.03 61.14 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.532 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.09 -38.7 51.83 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.022 0.439 . . . . 0.0 110.408 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -66.15 -40.29 90.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -70.19 -36.58 74.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.275 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 7.0 tp10 -59.79 -36.01 75.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.282 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.37 -55.66 3.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.54 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -100.04 -12.07 20.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 61.92 23.86 14.11 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.33 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -114.83 134.93 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.118 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 108.63 59.66 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 128.27 17.5 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.258 1.972 . . . . 0.0 111.98 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.35 178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.34 -52.04 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 110.803 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.88 -38.52 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 110.062 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD13 HD21 ' A' ' 53' ' ' LEU . 54.8 tp -63.99 -30.72 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -56.53 -39.47 73.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.469 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -67.19 -45.74 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -63.34 -44.67 94.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.133 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG11 HD21 ' A' ' 87' ' ' LEU . 96.6 t -65.98 -42.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 80' ' ' GLU . . . -58.55 -37.44 88.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.395 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.24 -40.94 50.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -70.82 -39.8 72.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.021 -174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.443 HD13 HG13 ' A' ' 73' ' ' VAL . 11.0 mp -86.37 -47.51 9.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.187 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.91 146.48 16.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 54.5 40.68 31.99 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.738 0.415 . . . . 0.0 110.798 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 29.9 tt0 68.8 -85.9 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.694 0.622 . . . . 0.0 109.643 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 tptm 66.14 -61.69 0.28 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 111.451 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.94 64.35 3.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.304 -0.474 . . . . 0.0 111.954 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -66.81 162.54 21.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.831 0.453 . . . . 0.0 110.539 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 88' ' ' TYR . 18.0 m -53.07 -41.64 65.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.931 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -73.81 -34.29 64.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 31.6 t80 -67.27 -42.65 83.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.111 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 57.9 mt -75.33 -26.3 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 84' ' ' SER . 6.1 t80 -79.92 -23.03 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.62 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 p -83.63 -24.82 31.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 87' ' ' LEU . 86.4 mt -66.62 -55.17 16.55 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.0 m-85 -131.83 101.37 15.45 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.897 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 91' ' ' PHE . 3.2 Cg_exo -76.75 5.96 4.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.524 2.816 . . . . 0.0 114.048 -172.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.9 16.14 15.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.275 0.56 . . . . 0.0 110.538 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.83 95.45 1.97 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.592 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 66.7 Cg_exo -37.55 -62.01 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 124.357 3.371 . . . . 0.0 114.399 -173.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.748 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.503 ' HA ' ' SG ' ' A' ' 100' ' ' CYS . 13.5 tmtt? -71.32 -31.04 66.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.124 0.487 . . . . 0.0 110.857 -173.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.566 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 51.2 tp60 -78.52 -39.08 39.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.443 0.639 . . . . 0.0 109.734 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.29 -39.67 71.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.023 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.765 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.0 p -68.24 -30.81 69.95 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 11.9 ttt180 -53.02 -52.97 56.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.181 171.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.443 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -71.41 -29.59 65.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.388 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -78.1 -13.41 59.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.712 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.585 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 80.4 24.25 59.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.703 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.765 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 57.4 mt -81.62 141.01 47.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.84 134.66 55.5 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.587 2.191 . . . . 0.0 111.491 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -51.22 108.19 0.99 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 123.932 0.77 . . . . 0.0 111.345 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo . . . . . 0 N--CA 1.455 -0.779 0 C-N-CA 123.012 2.475 . . . . 0.0 112.073 -177.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 N--CA 1.437 -1.102 0 CA-C-O 121.338 0.589 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 13' ' ' ALA . 20.7 p -123.44 151.99 42.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.562 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' ' 12' ' ' PHE . 39.8 pt -111.71 133.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -95.98 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.02 0.438 . . . . 0.0 110.087 -177.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.447 HG22 HG21 ' A' ' 33' ' ' VAL . 45.5 t -129.47 122.67 56.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.381 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 69.98 8.15 6.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.089 0.556 . . . . 0.0 111.537 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.66 9.03 59.08 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.49 -174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 52.3 mttt -103.77 152.83 21.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -106.08 107.72 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.831 0.348 . . . . 0.0 110.135 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 5' ' ' ILE . 93.9 m-85 -95.32 108.15 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.46 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -73.8 128.86 36.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.88 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.66 155.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.96 159.79 32.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.699 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.75 -21.84 66.13 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.592 0.234 . . . . 0.0 111.598 -176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.08 3.23 46.97 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.57 ' HA3' HH12 ' A' ' 101' ' ' ARG . . . 82.49 39.24 11.08 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.999 -0.619 . . . . 0.0 113.266 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -112.2 136.26 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.782 -0.246 . . . . 0.0 110.397 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 22' ' ' ASN . 62.5 tp -62.59 120.04 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 t -98.76 8.77 44.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.422 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 49.6 t-20 -118.32 92.57 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.0 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -96.64 19.75 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.32 -25.76 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.24 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 31.1 t70 -152.67 -67.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.443 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 80.6 t90 69.92 123.08 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.544 0.688 . . . . 0.0 111.036 -173.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.34 157.26 47.67 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.553 175.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.82 -29.87 54.71 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.588 2.192 . . . . 0.0 112.14 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.21 65.33 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.753 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.16 -42.5 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.24 85.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.268 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 21.4 t70 -61.56 -51.84 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.81 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.447 HG21 HG22 ' A' ' 7' ' ' VAL . 85.3 t -65.1 -35.16 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.5 tpp -65.5 -45.52 83.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.054 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.44 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.723 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 68.3 mttm -62.95 -29.22 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -71.53 -35.22 70.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -89.74 -10.95 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.123 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 62.16 26.22 15.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.473 0.654 . . . . 0.0 110.404 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -107.98 108.61 19.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.68 134.1 46.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.077 0.465 . . . . 0.0 110.4 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.95 109.65 20.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -80.57 176.46 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.43 -34.27 70.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -75.15 -35.47 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.602 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -65.07 -48.68 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.281 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -60.72 -31.29 70.59 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.891 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.28 -42.81 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.08 -41.8 84.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.494 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 103' ' ' ALA . 86.5 mt -58.67 -44.76 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.647 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 4.9 t30 -58.89 -45.86 89.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.01 176.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.06 -46.14 82.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 69' ' ' LEU . 16.7 mt -64.55 -35.42 80.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 111.191 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 7.9 mmm180 -68.35 -42.22 79.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.852 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.8 mt-10 -59.81 -43.55 94.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 109.91 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 14.6 t80 -65.59 -46.07 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.968 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -71.86 -39.33 69.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.589 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 1.8 tp10 -66.45 -24.05 66.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.947 0.403 . . . . 0.0 110.368 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.63 -60.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.261 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.45 -18.89 23.48 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 62.58 22.78 13.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.225 0.536 . . . . 0.0 110.78 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.97 135.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -91.52 115.43 64.47 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.217 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 12.8 Cg_exo -69.23 137.21 36.43 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.973 2.448 . . . . 0.0 112.662 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.66 170.84 15.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.22 -34.48 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.732 0.301 . . . . 0.0 111.455 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -72.98 -22.29 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.456 . . . . 0.0 110.929 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.78 -46.79 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 73' ' ' VAL . 57.7 tp -56.38 -56.39 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.199 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -53.95 -42.88 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.541 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.08 -29.77 58.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.05 -32.73 65.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.318 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 69' ' ' LEU . 93.7 t -58.28 -30.51 40.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.179 0.514 . . . . 0.0 110.473 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.584 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.5 -14.53 57.63 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -101.45 -15.04 17.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.318 0.559 . . . . 0.0 111.668 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -117.87 -30.6 5.35 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.761 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.578 ' HG ' ' HD2' ' A' ' 81' ' ' LYS . 61.8 tp -118.56 -28.12 5.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -173.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.584 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 170.07 124.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.42 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.19 -36.8 85.31 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.651 0.38 . . . . 0.0 111.665 -174.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 12.9 mp0 -107.7 5.49 26.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.345 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.578 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 41.1 ttmt -88.58 -72.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.736 -171.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.42 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -86.85 46.76 3.61 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.925 -172.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 80' ' ' GLU . 91.8 m-20 -89.32 -24.21 22.07 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -165.41 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.385 . . . . 0.0 112.001 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -53.48 -37.95 63.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.372 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.481 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 75.0 t80 -52.3 -55.88 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.704 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.479 HD11 HG21 ' A' ' 73' ' ' VAL . 52.0 mt -76.61 -31.19 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.68 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -73.4 -23.23 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 0.0 110.754 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -84.55 -28.84 26.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 57.2 mt -70.42 -48.1 57.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 176.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -127.61 96.28 33.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.347 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.11 -10.54 29.36 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.319 2.68 . . . . 0.0 112.983 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -101.65 7.58 42.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.264 0.554 . . . . 0.0 110.196 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.456 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 110.97 117.7 3.77 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.484 -177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 8.9 Cg_endo -50.87 -57.13 2.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.412 2.741 . . . . 0.0 112.72 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.86 74.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.587 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.55 -58.14 4.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.47 -37.02 74.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.81 86.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.397 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.791 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.1 p -68.42 -32.59 72.73 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.478 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.57 HH12 ' HA3' ' A' ' 18' ' ' GLY . 42.5 ttt85 -56.31 -41.21 75.6 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -84.03 -36.54 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.987 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -74.25 -4.42 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.903 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.73 58.74 6.1 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.951 -0.643 . . . . 0.0 111.926 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.5 mt -124.69 154.78 70.3 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.97 149.75 89.86 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.232 1.955 . . . . 0.0 111.254 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.11 108.47 1.63 Allowed Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 123.58 0.55 . . . . 0.0 111.388 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 C-N-CA 123.268 2.645 . . . . 0.0 112.543 -179.207 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 13' ' ' ALA . 37.2 p -133.67 140.46 47.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.684 0.278 . . . . 0.0 110.803 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.8 pt -91.41 126.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.4 102.34 14.06 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.423 HG22 HG21 ' A' ' 33' ' ' VAL . 24.7 t -91.43 87.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 t70 69.0 -69.67 0.15 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.821 0.701 . . . . 0.0 111.358 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.59 16.01 2.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.725 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.35 105.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 18.2 mt-30 -92.8 106.68 18.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.002 0.43 . . . . 0.0 110.728 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -95.25 130.96 41.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.415 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -64.42 131.83 48.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.72 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.64 152.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.357 0.599 . . . . 0.0 111.624 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.2 158.82 34.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.416 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.01 -17.05 62.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.806 0.336 . . . . 0.0 111.043 -174.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.97 -14.03 56.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.738 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.75 53.7 1.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.764 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -137.78 137.25 38.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.1 108.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.94 0.4 . . . . 0.0 111.264 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -109.41 72.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.62 0.724 . . . . 0.0 109.316 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -167.94 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.273 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt 55.69 -118.03 1.2 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 65.06 -74.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.844 0.715 . . . . 0.0 111.991 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.61 -63.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.431 ' CE3' ' HD2' ' A' ' 54' ' ' ARG . 88.7 t90 69.97 113.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.872 0.733 . . . . 0.0 110.786 -174.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.94 153.78 37.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.719 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.98 -33.11 60.92 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.33 59.36 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.037 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.25 -41.22 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 109.978 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.75 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.268 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -59.01 -53.03 62.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.423 HG21 HG22 ' A' ' 7' ' ' VAL . 91.4 t -64.25 -41.2 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.403 ' HB3' ' HD1' ' A' ' 102' ' ' PHE . 32.4 tpp -59.71 -46.91 87.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.168 0.509 . . . . 0.0 110.075 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -66.25 -35.02 79.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.112 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -58.36 -41.59 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.129 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 22.0 mt-30 -66.02 -46.75 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 1.2 m-20 -76.66 -14.42 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.18 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER 68.69 22.54 7.42 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.449 0.468 . . . . 0.0 110.907 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 9.0 tt -106.07 114.65 28.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.851 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -69.13 125.36 26.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.385 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.52 112.92 24.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.27 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -95.03 -175.49 3.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.97 -33.49 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.265 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.23 -52.47 63.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.462 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.7 m80 -64.28 -48.68 74.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.794 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -58.63 -36.08 73.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.755 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.91 -41.9 86.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.725 0.298 . . . . 0.0 110.614 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.88 -40.38 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.542 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.8 mt -59.84 -48.89 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.22 176.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -62.37 -40.82 97.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.287 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 66.3 t80 -58.99 -48.71 80.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.52 -34.15 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.038 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HD2' ' CE3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -56.51 -55.74 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.56 -47.68 83.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.425 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . 41.2 t80 -60.17 -45.98 91.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -76.63 -37.37 56.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.326 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.04 -13.83 59.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 111.021 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -109.95 -48.12 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.425 ' HD2' ' HA ' ' A' ' 56' ' ' TYR . 93.4 m-85 -91.2 -16.18 28.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.3 26.78 13.74 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.776 0.43 . . . . 0.0 111.452 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.56 140.89 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.534 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.13 112.05 65.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -84.56 142.38 9.27 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.52 2.147 . . . . 0.0 113.499 -173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 -178.97 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.46 -38.51 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.955 0.407 . . . . 0.0 110.237 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -53.36 -35.5 60.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.685 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.71 -45.11 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -56.64 -41.56 77.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.526 -177.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 m -56.78 -41.14 77.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 111.876 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.12 -26.18 31.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 111.075 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -69.67 -42.0 74.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.286 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.716 HG13 HD23 ' A' ' 77' ' ' LEU . 75.7 t -60.53 -25.09 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.706 176.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.01 -22.05 64.35 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.832 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -87.61 -22.97 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.207 0.527 . . . . 0.0 110.181 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -88.82 -61.16 1.77 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.716 HD23 HG13 ' A' ' 73' ' ' VAL . 4.3 mm? -83.45 -21.49 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -175.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.15 -176.62 17.58 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.542 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -85.47 9.66 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.303 . . . . 0.0 111.294 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.701 ' HG3' ' HD2' ' A' ' 81' ' ' LYS . 9.1 pt-20 -120.34 5.78 10.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 111.338 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.701 ' HD2' ' HG3' ' A' ' 80' ' ' GLU . 8.8 mptt -129.97 161.96 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.17 4.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 65.84 -73.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.235 0.614 . . . . 0.0 111.658 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.6 t -178.28 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -58.77 -37.73 76.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.015 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.1 t80 -64.62 -32.95 74.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.668 0.27 . . . . 0.0 110.761 -176.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 49.2 mt -84.36 -32.1 24.41 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.241 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -76.64 -9.33 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.248 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 p -99.69 -32.45 11.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.204 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 40.5 mt -63.21 -51.28 66.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.007 0.432 . . . . 0.0 110.052 172.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -122.46 90.18 49.45 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.632 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.1 0.3 6.86 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.874 2.382 . . . . 0.0 112.651 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.403 ' HB3' ' CG ' ' A' ' 98' ' ' GLN . 4.5 t80 -110.76 10.1 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 109.96 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.3 105.18 2.14 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.768 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.559 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 83.1 Cg_exo -46.79 -66.87 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.632 2.888 . . . . 0.0 113.72 -174.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.56 80.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.659 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -68.94 -39.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.153 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.403 ' CG ' ' HB3' ' A' ' 93' ' ' TYR . 12.5 mm100 -77.33 -38.69 49.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.673 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.505 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.958 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.6 p -69.93 -28.19 65.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -62.82 -39.41 94.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.69 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.403 ' HD1' ' HB3' ' A' ' 34' ' ' MET . 25.2 m-85 -84.17 -31.6 25.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.806 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.03 36.81 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.999 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.69 44.11 13.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.602 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.958 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 58.8 mt -117.16 134.37 23.05 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -82.05 48.35 2.79 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.879 2.386 . . . . 0.0 113.338 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 9.8 mtpm? 70.54 127.53 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 123.681 0.613 . . . . 0.0 112.365 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 10.8 Cg_exo . . . . . 0 CA--C 1.529 0.263 0 C-N-CA 123.119 2.546 . . . . 0.0 111.455 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 2.8 p -134.64 120.19 19.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.815 0.34 . . . . 0.0 110.835 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.4 pt -89.91 136.35 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.65 106.71 19.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.221 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.43 118.51 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 67.4 -74.93 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.662 0.601 . . . . 0.0 111.02 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.67 16.1 0.32 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -116.05 143.61 45.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.485 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 88.0 mt-30 -107.46 105.4 15.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.171 0.51 . . . . 0.0 109.751 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -91.18 123.67 34.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.472 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.21 127.81 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.97 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -124.99 158.32 32.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.325 0.583 . . . . 0.0 111.948 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.02 151.1 48.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.409 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.53 -17.4 63.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -95.97 -18.27 20.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.659 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 114.76 65.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.91 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.3 152.35 48.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HG ' ' H ' ' A' ' 22' ' ' ASN . 25.5 tp -84.29 121.16 27.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.463 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 m -92.29 11.17 26.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.186 0.517 . . . . 0.0 110.654 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 25.7 t-20 -134.32 90.41 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.954 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.3 mt -88.06 13.75 10.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.878 0.371 . . . . 0.0 111.263 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.97 -46.26 30.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.345 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -99.01 -90.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.407 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.433 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 85.1 t90 62.54 102.95 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.524 0.73 . . . . 0.0 111.615 -175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.71 159.77 29.72 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.54 -34.06 32.67 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.65 2.233 . . . . 0.0 112.858 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.58 58.47 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.122 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 20' ' ' LEU . 89.8 t -65.57 -42.96 94.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.39 76.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.714 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -56.32 -57.14 13.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.175 0.512 . . . . 0.0 110.324 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.02 -37.25 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.825 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.9 tpp -66.96 -49.22 66.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . . . -64.85 -32.59 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -59.73 -35.63 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' A' ' 37' ' ' GLN . 14.5 mm-40 -66.81 -42.08 86.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.989 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.73 -4.68 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.958 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER 63.66 27.8 14.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.917 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.0 tp -99.23 139.5 34.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.284 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -82.31 130.33 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.72 94.06 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.594 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.21 -171.79 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -50.1 -53.12 29.43 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.989 0.423 . . . . 0.0 111.506 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 49' ' ' ILE . 27.2 mt-10 -68.76 -41.1 79.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.223 -175.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.473 ' O ' HG12 ' A' ' 50' ' ' ILE . 78.1 m80 -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.352 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -63.16 -40.64 98.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.502 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 37.2 t70 -73.17 -25.22 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.249 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -68.12 -44.96 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 102' ' ' PHE . 44.0 mm -62.78 -44.7 99.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.552 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 31.9 t30 -55.12 -47.09 75.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.627 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 73.9 t80 -60.86 -43.73 97.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.551 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD21 HD13 ' A' ' 69' ' ' LEU . 32.7 mt -61.62 -38.89 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 110.395 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 17.6 tpt180 -60.71 -49.16 78.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.362 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.0 mt-10 -61.46 -48.4 81.32 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 110.781 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.65 -41.8 98.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.952 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 61.4 t80 -69.75 -38.78 76.92 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.548 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -42.28 85.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.099 -0.375 . . . . 0.0 111.646 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.64 -46.75 11.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.89 -16.6 25.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.577 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 12.6 tp60 63.17 23.97 14.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.088 0.47 . . . . 0.0 111.217 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 tt -139.46 144.89 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 122.26 -0.275 . . . . 0.0 110.646 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -95.34 125.69 48.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.18 149.04 35.43 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.457 2.105 . . . . 0.0 113.019 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.78 178.2 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.446 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -60.13 -43.85 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 110.279 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -65.65 -39.31 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.23 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 HD21 ' A' ' 53' ' ' LEU . 63.2 tp -61.12 -50.26 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.127 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 m -56.13 -42.77 77.42 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.994 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.68 -47.01 77.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.045 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -72.16 -39.6 68.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.672 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 69' ' ' LEU . 97.5 t -63.29 -30.81 50.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -72.29 8.44 6.83 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.943 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -132.97 -45.64 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.666 0.27 . . . . 0.0 110.344 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -63.3 -44.93 93.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 81' ' ' LYS . 24.1 tp -98.11 -38.66 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.022 0.439 . . . . 0.0 110.357 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 155.65 152.71 6.3 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.218 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -65.18 -41.53 94.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.017 0.437 . . . . 0.0 111.101 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -87.93 -29.18 21.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.522 0.677 . . . . 0.0 109.761 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.404 ' HG2' ' HG ' ' A' ' 77' ' ' LEU . 38.4 tptt -72.78 -41.81 64.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.707 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.42 60.18 4.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -90.43 151.08 21.56 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.531 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 24.9 m -57.9 -50.47 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.291 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -58.27 -36.29 73.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.25 -43.8 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.353 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 95' ' ' PRO . 4.1 mm? -62.2 -40.85 97.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.243 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.531 ' HD1' ' O ' ' A' ' 84' ' ' SER . 63.9 m-85 -73.73 -17.79 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.26 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 m -83.52 -30.74 26.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.491 . . . . 0.0 109.729 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.61 -50.97 18.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.791 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.9 m-85 -120.36 96.71 49.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.84 -25.09 39.53 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.201 2.601 . . . . 0.0 113.288 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -93.73 14.37 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 110.864 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.06 116.58 3.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.756 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 72.3 Cg_exo -49.76 -56.03 3.54 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.352 2.701 . . . . 0.0 112.776 -177.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.92 80.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.416 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.2 -54.13 50.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.566 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.8 mm-40 -63.58 -47.53 81.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.31 84.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.848 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -62.68 -35.85 81.01 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.41 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 39.2 ttm180 -58.62 -44.65 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.967 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.492 ' HB2' HD12 ' A' ' 50' ' ' ILE . 13.5 m-85 -79.65 -31.94 41.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.376 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.09 -10.09 59.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.57 12.35 67.11 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.61 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 88.3 mt -86.21 142.33 35.72 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.41 -179.96 3.6 Favored 'Trans proline' 0 CA--C 1.527 0.161 0 C-N-CA 122.446 2.098 . . . . 0.0 111.572 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -50.41 107.16 0.74 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 123.521 0.513 . . . . 0.0 111.403 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.519 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 14.4 Cg_endo . . . . . 0 N--CA 1.456 -0.72 0 C-N-CA 123.252 2.635 . . . . 0.0 112.946 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 C--O 1.231 0.124 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.5 p -138.47 157.49 46.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.846 0.355 . . . . 0.0 111.765 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 pt -126.49 143.58 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.09 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -91.81 104.14 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 0.0 110.355 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.03 85.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.601 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 55.85 81.13 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.807 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 19.5 59.37 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.528 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -145.32 139.29 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.11 116.19 30.71 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.046 0.451 . . . . 0.0 110.252 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -98.21 126.7 43.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.393 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 22' ' ' ASN . . . -70.15 118.15 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.032 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.02 157.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.15 162.97 18.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.78 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.97 -22.85 67.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.684 0.278 . . . . 0.0 111.055 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -74.15 -11.48 60.31 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 175.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.96 17.24 54.46 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.503 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 14.2 m-85 -93.25 -175.55 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.729 0.412 . . . . 0.0 110.227 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.93 108.91 21.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -83.41 -27.79 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.0 110.344 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.577 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 18.1 t-20 -85.83 78.58 9.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 109.995 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.71 114.35 9.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.42 -60.21 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.552 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 36.0 t70 -141.92 -49.66 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.528 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.494 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 77.3 t90 74.03 133.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.867 0.729 . . . . 0.0 111.647 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 30' ' ' VAL . 23.4 m -118.25 150.17 47.16 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.737 175.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.39 -28.81 74.55 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.692 2.261 . . . . 0.0 112.593 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.31 64.81 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.838 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 HG22 ' A' ' 27' ' ' VAL . 84.4 t -63.34 -46.76 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.82 94.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.446 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.07 -56.49 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.492 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.15 -26.52 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.956 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.574 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 50.6 ttm -75.37 -48.49 22.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.726 0.298 . . . . 0.0 110.43 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.94 63.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.39 -43.76 96.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.111 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -70.89 -36.16 72.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -9.93 59.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.537 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 54.16 45.14 28.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.825 0.821 . . . . 0.0 110.236 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -113.36 110.27 20.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.403 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.64 109.44 3.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.784 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.17 103.5 10.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -87.97 -178.88 6.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.515 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.76 -43.19 80.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 49' ' ' ILE . 1.7 mp0 -57.85 -44.33 86.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.686 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.8 m80 -64.77 -49.16 71.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.674 178.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -60.63 -36.74 79.38 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.348 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.23 -41.5 89.98 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.517 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.7 mm -63.07 -43.43 98.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.107 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 46' ' ' HIS . 89.2 mt -60.03 -50.6 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.366 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -60.4 -47.21 87.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.084 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.65 -37.9 85.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD21 ' HD2' ' A' ' 64' ' ' PRO . 1.2 tt -71.25 -40.8 70.8 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.967 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.12 -42.5 80.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.665 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.19 -42.56 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -66.08 -45.94 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.839 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -62.76 -35.72 80.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 111.077 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -84.61 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.775 -175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.0 -8.13 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 64.82 21.74 12.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -122.05 141.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.227 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.81 104.46 9.35 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.434 ' HD2' HD21 ' A' ' 53' ' ' LEU . 45.0 Cg_endo -69.61 122.9 9.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.698 2.265 . . . . 0.0 113.012 -174.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 174.93 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.725 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.68 -46.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -65.07 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.249 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.4 t -75.16 -49.9 26.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.2 tp -59.03 -48.6 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.038 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.0 m -61.91 -33.99 75.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 111.207 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -73.93 -30.95 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.989 0.423 . . . . 0.0 110.284 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.16 60.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.179 0.514 . . . . 0.0 110.605 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.512 HG21 HD21 ' A' ' 87' ' ' LEU . 77.4 t -61.56 -27.13 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.122 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -70.93 -3.36 51.02 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.564 -0.743 . . . . 0.0 113.02 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -103.86 -53.27 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.553 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.63 -42.7 16.4 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 73' ' ' VAL . 3.7 mm? -88.4 -45.33 10.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.188 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.52 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 158.14 166.64 17.76 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.045 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.5 -32.05 64.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 0.0 110.879 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -31.3 21.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.393 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.79 -37.47 64.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.638 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.61 60.75 4.65 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.699 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -129.44 -73.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 66.4 m -163.46 -59.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -177.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -48.53 -49.98 33.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.107 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.469 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 63.6 t80 -58.05 -48.67 79.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.648 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 73' ' ' VAL . 4.2 mm? -69.35 -38.0 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.7 -176.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.485 ' HD1' ' O ' ' A' ' 84' ' ' SER . 66.9 m-85 -76.83 -21.8 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.344 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 p -82.26 -21.66 36.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.514 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.0 mt -82.29 -52.55 6.82 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.938 0.399 . . . . 0.0 110.328 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.549 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 65.6 m-85 -125.52 90.58 50.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.244 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.51 -18.48 38.14 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.907 2.404 . . . . 0.0 112.401 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -91.09 5.7 47.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.186 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.51 105.61 1.33 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.823 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.549 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 82.2 Cg_exo -46.57 -66.25 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.657 2.905 . . . . 0.0 113.205 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.76 69.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.416 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 97' ' ' LYS . 3.3 mmmp? -59.5 -49.93 75.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -176.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.66 -41.34 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.081 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.58 -50.78 72.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.435 ' HB2' HD12 ' A' ' 105' ' ' LEU . 25.5 p -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.038 0.447 . . . . 0.0 110.639 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.574 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 45.7 ttt180 -61.73 -46.96 87.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.443 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -74.47 -23.03 58.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.19 -7.34 55.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . 80.08 33.31 33.17 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.578 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' O ' ' HD2' ' A' ' 19' ' ' TYR . 72.6 mt -102.23 163.33 17.92 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 173.87 11.0 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.207 1.938 . . . . 0.0 111.287 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -79.04 116.21 58.35 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.336 0.588 . . . . 0.0 111.096 -174.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 6.2 Cg_exo . . . . . 0 N--CA 1.457 -0.667 0 C-N-CA 123.002 2.468 . . . . 0.0 111.105 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.776 0.798 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 13' ' ' ALA . 75.0 p -119.77 147.06 45.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.844 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.56 ' CG1' ' HB2' ' A' ' 12' ' ' PHE . 31.2 pt -88.87 125.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.82 107.01 19.22 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.491 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.19 107.7 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 71.66 -1.45 2.8 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.743 0.652 . . . . 0.0 111.137 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -18.17 8.3 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -85.51 138.21 32.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.78 113.96 27.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.096 0.474 . . . . 0.0 111.527 -173.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 93.4 m-85 -94.36 121.37 35.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.993 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -64.17 121.23 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.468 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 20' ' ' LEU . 28.1 m -128.68 155.88 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.953 176.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 -175.35 3.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.713 0.292 . . . . 0.0 110.842 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.3 -27.46 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.45 0.67 55.19 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.735 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.31 13.76 65.21 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.583 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.52 133.33 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.32 0.56 . . . . 0.0 110.426 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HA ' HG12 ' A' ' 14' ' ' VAL . 31.7 tp -70.24 114.46 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.246 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -75.55 -22.19 57.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.325 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -98.54 88.41 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 111.357 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.09 84.05 7.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.231 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -178.65 -48.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.128 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.09 11.67 24.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.838 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -51.44 133.14 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.818 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.28 161.47 61.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.332 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -53.06 -36.6 76.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.653 2.235 . . . . 0.0 112.778 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.47 -27.33 63.27 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.9 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.436 HG13 HD11 ' A' ' 5' ' ' ILE . 75.1 t -59.31 -49.77 82.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.34 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.67 79.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.943 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.21 -57.46 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.191 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 60.2 t -63.05 -38.32 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.404 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 42.0 ttm -64.72 -41.01 96.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.63 76.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.019 0.438 . . . . 0.0 110.305 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.85 -33.86 76.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.117 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 27.9 mt-30 -74.09 -36.62 64.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.19 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -86.44 -11.21 52.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.92 76.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.806 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.1 tp -150.95 142.44 23.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.963 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -94.04 143.21 26.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.68 101.36 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.068 0.461 . . . . 0.0 110.989 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -91.76 -175.21 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.833 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.12 -43.32 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.279 . . . . 0.0 110.683 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 49' ' ' ILE . 1.9 pm0 -65.85 -36.33 83.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -63.53 -50.01 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -62.13 -40.8 97.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -35.57 81.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.313 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 45' ' ' GLU . 72.1 mt -66.83 -45.48 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 110.377 176.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -62.08 -43.1 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.467 . . . . 0.0 109.927 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.73 -40.91 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.568 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.607 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 61.9 t80 -61.72 -41.57 97.81 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.424 HD21 HD13 ' A' ' 69' ' ' LEU . 90.2 mt -70.31 -39.46 74.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 54' ' ' ARG . 30.3 tpt85 -56.59 -47.19 80.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.224 174.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.63 -53.04 31.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.125 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.67 -41.68 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.879 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.473 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 75.3 t80 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.05 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.74 -37.47 70.56 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -79.14 -65.32 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.13 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -78.66 -16.79 56.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.702 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 24.9 mm-40 64.29 26.22 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.789 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.66 143.7 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.102 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -99.66 128.78 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.322 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -82.22 140.23 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.234 2.623 . . . . 0.0 113.046 -177.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.95 179.74 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.218 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.64 -40.63 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.601 0.238 . . . . 0.0 111.525 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 67' ' ' ARG . 25.7 ttt85 -70.51 -36.04 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.08 0.467 . . . . 0.0 110.723 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 t -75.5 -40.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -61.86 -52.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -55.81 -36.4 67.4 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.262 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 31.7 ttpt -55.7 -47.96 75.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.601 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.36 -38.98 55.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.979 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.504 HG11 HD21 ' A' ' 87' ' ' LEU . 73.2 t -55.49 -42.42 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -59.34 -42.7 97.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.891 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -80.12 -34.92 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 111.0 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.607 ' HE2' ' HB2' ' A' ' 52' ' ' PHE . 46.3 tttp -72.3 -45.72 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.92 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD13 HG13 ' A' ' 73' ' ' VAL . 11.0 mp -80.43 -33.27 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.29 -97.08 0.16 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.8 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -139.09 -73.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 111.811 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -80.92 -7.21 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 111.557 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.23 -6.06 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.302 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.491 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -120.77 81.76 0.34 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.735 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -142.95 -66.62 0.38 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.4 p -174.79 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.487 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -49.19 -59.74 3.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.068 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.92 -40.52 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.504 HD21 HG11 ' A' ' 73' ' ' VAL . 29.1 mt -75.68 -33.27 60.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -79.95 -11.05 59.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.92 0.391 . . . . 0.0 110.811 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -85.66 -27.76 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.53 -55.29 5.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 94.6 m-85 -118.32 105.26 46.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.723 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.11 -8.81 20.27 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.717 2.278 . . . . 0.0 113.63 -174.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.19 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.303 0.573 . . . . 0.0 109.831 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.8 110.77 0.42 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.973 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 6.6 Cg_endo -49.32 -54.55 5.27 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.314 2.676 . . . . 0.0 112.783 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.01 67.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -67.63 -42.29 82.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.601 -173.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' A' ' 91' ' ' PHE . 50.7 mt-30 -70.49 -42.91 70.75 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.68 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.97 81.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.6 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.788 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -63.47 -37.27 86.65 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 38.4 ttp180 -55.71 -45.63 77.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.769 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.01 -31.11 72.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.4 52.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.459 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 95.61 6.88 59.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.422 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.4 mt -85.73 121.74 73.2 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 122.763 -0.257 . . . . 0.0 110.572 -177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 19.2 Cg_endo -60.26 159.07 28.04 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.545 2.163 . . . . 0.0 110.9 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HD3' ' H ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -50.67 109.07 1.18 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 111.578 -175.125 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo . . . . . 0 N--CA 1.455 -0.766 0 C-N-CA 123.157 2.572 . . . . 0.0 112.408 -176.839 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 13.7 p -138.32 137.3 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.935 0.398 . . . . 0.0 111.776 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.5 pt -105.08 137.2 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.166 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 5.1 tm-20 -88.39 109.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.059 0.457 . . . . 0.0 110.221 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 33' ' ' VAL . 58.2 t -129.65 114.43 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.366 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 58.49 30.34 19.59 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.892 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -11.38 71.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.547 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 68.2 mttm -95.76 168.69 10.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.686 0.279 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 15.8 pt20 -128.92 105.95 8.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.448 0.642 . . . . 0.0 110.151 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 97.7 m-85 -91.8 134.4 34.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.163 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 126.14 30.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.249 0.547 . . . . 0.0 111.483 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.15 144.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.64 157.7 33.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.737 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -54.06 -30.46 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.397 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.38 -1.18 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.58 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.66 28.97 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.86 173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 92.5 m-85 -113.83 151.07 32.62 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.8 120.01 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.657 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.5 p -91.05 -18.2 24.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -106.18 95.8 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.937 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.524 HD21 ' O ' ' A' ' 104' ' ' GLY . 85.9 mt -94.84 -156.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.271 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' HB3' ' A' ' 23' ' ' LEU . 64.0 t30 78.16 -37.14 0.22 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.699 0.799 . . . . 0.0 111.218 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.39 -88.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.749 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.63 ' HE3' HH11 ' A' ' 54' ' ' ARG . 87.1 t90 63.25 125.66 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.62 0.768 . . . . 0.0 111.87 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.98 153.07 63.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.171 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -53.34 -28.37 43.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.105 2.537 . . . . 0.0 112.804 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.25 -29.04 67.83 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.35 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.44 -44.3 86.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.12 89.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -51.67 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 7' ' ' VAL . 99.7 t -63.12 -42.84 98.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.684 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.9 tpp -58.54 -54.02 51.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.65 78.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.502 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -55.93 -42.07 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.91 -36.89 80.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.5 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.16 3.45 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.605 0.24 . . . . 0.0 111.434 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.0 m120 66.9 53.8 0.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.296 0.57 . . . . 0.0 111.052 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 102' ' ' PHE . 21.9 tp -140.56 145.03 36.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.143 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -108.84 145.39 35.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -111.5 115.61 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.161 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.499 ' HB ' ' OE1' ' A' ' 44' ' ' GLU . 41.6 p -95.8 -174.95 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 1.7 pm0 -60.14 -31.49 70.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.205 0.526 . . . . 0.0 110.06 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 49' ' ' ILE . 37.9 mt-10 -60.9 -51.35 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.908 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.3 m80 -64.52 -46.93 80.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.855 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -58.82 -38.83 79.53 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.654 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.7 -40.95 92.8 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.56 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -65.38 -43.06 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.771 0.32 . . . . 0.0 110.471 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 46' ' ' HIS . 81.5 mt -60.5 -48.17 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.04 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.52 -40.63 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.014 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 81.1 t80 -60.92 -39.34 89.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 69' ' ' LEU . 38.3 mt -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.006 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.63 HH11 ' HE3' ' A' ' 26' ' ' TRP . 20.2 ttt85 -61.22 -50.68 72.12 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.165 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.73 -34.26 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 52' ' ' PHE . 17.5 t80 -65.55 -40.75 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.088 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -75.72 -37.06 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.7 -42.3 88.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.08 -59.91 1.86 Allowed 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -81.36 -23.67 37.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.531 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 64.93 21.74 12.37 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -117.97 139.92 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.68 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -98.14 108.59 47.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.411 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 10.9 Cg_exo -70.28 134.95 28.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.912 2.408 . . . . 0.0 113.072 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.33 -178.48 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.98 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.82 -40.89 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.928 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.08 -38.78 89.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.1 t -78.82 -48.74 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.373 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD13 HD21 ' A' ' 53' ' ' LEU . 64.9 tp -57.02 -52.54 64.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.446 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -55.01 -47.46 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.484 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.07 -37.54 87.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.028 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.26 -32.81 69.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.795 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 69' ' ' LEU . 90.7 t -61.27 -43.1 95.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 110.684 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.15 12.12 7.34 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.974 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -105.56 -34.28 7.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 110.225 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -96.73 -49.95 4.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.277 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 81' ' ' LYS . 37.1 tp -70.61 -58.69 3.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.536 -169.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.87 158.53 31.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.417 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.38 -28.88 70.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -126.15 22.87 7.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 0.0 110.075 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.437 ' HB3' HD23 ' A' ' 77' ' ' LEU . 48.0 mttm -112.92 84.55 2.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.076 174.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 37.91 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.48 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.48 -176.11 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 88' ' ' TYR . 10.2 m -54.48 -66.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.75 -24.97 67.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.102 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 21.2 t80 -56.2 -51.92 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.204 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 95' ' ' PRO . 3.5 mm? -74.29 -35.01 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.306 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.511 ' HD2' ' O ' ' A' ' 84' ' ' SER . 49.6 m-85 -69.38 -27.33 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.674 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -82.62 -27.03 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.61 0.243 . . . . 0.0 110.937 175.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 85.7 mt -67.11 -56.47 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.0 110.011 175.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.574 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 90.2 m-85 -123.78 105.63 32.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.25 -43.57 22.91 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.982 2.455 . . . . 0.0 113.042 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.549 ' HB3' HE21 ' A' ' 98' ' ' GLN . 50.8 t80 -88.84 61.27 5.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.419 0.628 . . . . 0.0 110.437 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.39 110.06 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.681 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 84.2 Cg_exo -45.68 -55.1 3.82 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.403 2.735 . . . . 0.0 112.901 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.64 -39.41 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.543 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -61.88 -54.35 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.549 HE21 ' HB3' ' A' ' 93' ' ' TYR . 69.4 mm-40 -64.06 -49.62 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.25 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.602 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.3 p -66.87 -36.47 82.39 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.652 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.22 -38.04 87.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 24.3 m-85 -74.13 -35.61 64.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.03 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.524 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 91.76 5.22 66.73 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.404 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 61.9 mt -78.36 140.62 60.73 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.71 160.32 37.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 111.909 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 19' ' ' TYR . 44.3 tttm -58.74 110.12 2.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.549 -176.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 C-N-CA 123.241 2.628 . . . . 0.0 113.269 -177.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--O 1.231 0.132 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.7 119.52 14.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 111.146 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.3 pt -94.06 137.04 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.768 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.03 110.0 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.311 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -112.01 84.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t70 40.98 80.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.534 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.49 -29.97 5.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.443 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.63 131.75 45.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.87 0.367 . . . . 0.0 111.392 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -102.89 106.64 17.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.904 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -98.4 119.87 37.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.11 0.481 . . . . 0.0 110.931 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.98 127.4 33.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.6 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.13 142.06 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.656 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -176.09 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.316 . . . . 0.0 110.72 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.17 -19.74 60.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.366 -173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.08 -0.72 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.249 0.547 . . . . 0.0 110.515 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.99 31.07 27.04 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.746 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -109.8 153.87 23.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.381 . . . . 0.0 110.532 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -71.06 119.21 14.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.2 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -86.09 -20.62 28.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 0.0 111.58 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.99 107.86 19.09 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD21 ' O ' ' A' ' 104' ' ' GLY . 74.4 mt -95.39 -177.01 3.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.822 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 52.55 18.95 1.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.813 1.245 . . . . 0.0 113.341 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.65 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 t90 30.84 106.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.698 1.599 . . . . 0.0 114.791 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.86 153.85 40.56 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.191 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.18 -30.37 50.42 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.743 2.295 . . . . 0.0 112.62 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 -31.0 75.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.827 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.3 t -59.27 -50.44 79.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.456 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.69 91.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.847 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.543 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 14.0 t70 -63.48 -56.81 13.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.588 HG12 HE21 ' A' ' 37' ' ' GLN . 81.4 t -60.82 -36.66 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.439 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 43.5 ttm -68.68 -42.55 77.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.783 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.58 91.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.367 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 1.6 mptm? -62.42 -31.97 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.588 HE21 HG12 ' A' ' 33' ' ' VAL . 77.2 mt-30 -74.84 -24.89 58.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -101.35 0.71 37.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.618 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 69.56 48.0 0.63 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.493 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD22 HE21 ' A' ' 98' ' ' GLN . 23.1 tp -135.04 140.67 45.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.85 153.58 18.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -118.78 110.11 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.8 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 p -93.62 -178.25 4.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.015 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.18 -31.0 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.021 0.439 . . . . 0.0 110.206 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 49' ' ' ILE . 4.9 mm-40 -70.81 -44.6 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.797 178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -61.98 -47.01 86.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -59.93 -35.74 75.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.33 -38.29 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.698 0.285 . . . . 0.0 110.616 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.4 mm -67.17 -44.43 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.422 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.29 -44.77 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.978 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 15.2 t-20 -59.29 -44.85 92.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.646 176.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.54 -44.47 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 53' ' ' LEU . 14.0 mt -65.79 -37.96 87.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.84 -51.29 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 14.6 mm-40 -60.87 -46.94 88.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.503 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.68 -49.7 76.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -73.17 -37.65 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.382 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.77 -34.97 74.51 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.983 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.32 -40.68 12.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -104.07 -12.7 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 65.29 23.82 12.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.094 0.558 . . . . 0.0 111.275 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.87 129.87 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.36 109.06 43.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.26 143.86 22.73 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.46 2.107 . . . . 0.0 112.664 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.29 -176.05 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.445 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -47.62 -57.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -58.39 -45.97 87.28 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.776 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.03 -46.77 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.981 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 73' ' ' VAL . 54.7 tp -60.62 -51.21 70.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.761 HG21 ' H ' ' A' ' 84' ' ' SER . 22.4 m -62.61 -28.63 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.34 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.71 -34.98 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.08 -27.56 43.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.559 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 69' ' ' LEU . 96.4 t -60.35 -35.97 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.778 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.68 -11.85 63.35 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.256 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -93.73 -22.85 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.841 0.353 . . . . 0.0 110.49 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HD3' ' C ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -101.75 -62.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 109.894 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.61 -33.39 60.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.66 171.78 13.62 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 80' ' ' GLU . 35.5 mtmm -77.79 150.66 34.28 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 45.3 mt-10 75.38 -39.41 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.794 0.684 . . . . 0.0 110.422 -173.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -81.08 -0.86 41.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.815 0.817 . . . . 0.0 109.055 168.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.59 172.4 21.91 Favored Glycine 0 N--CA 1.438 -1.182 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 172.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.433 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.3 t30 65.5 94.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.534 0.683 . . . . 0.0 112.035 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.761 ' H ' HG21 ' A' ' 70' ' ' THR . 8.8 t 68.95 -79.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.943 171.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -47.64 -67.64 0.26 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -167.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 t80 -62.72 -34.89 78.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.804 -170.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.6 mm? -68.0 -40.68 82.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.264 . . . . 0.0 110.919 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 84' ' ' SER . 55.7 m-85 -76.18 -20.32 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.745 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.5 m -83.01 -30.46 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.558 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 78.9 mt -78.1 -49.71 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.522 176.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 58.6 m-85 -116.9 92.52 39.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.435 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -71.29 -13.01 30.57 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.527 2.152 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.93 4.08 54.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.497 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.472 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 122.43 109.66 2.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.882 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.0 Cg_endo -48.2 -65.85 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.733 2.955 . . . . 0.0 113.404 -176.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.84 80.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.115 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -54.06 -53.62 50.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.409 HE21 HD22 ' A' ' 40' ' ' LEU . 14.1 mm100 -71.72 -46.75 57.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.135 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.94 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.638 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.734 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.2 p -70.21 -33.88 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.469 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 78.9 ttt180 -60.83 -49.17 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.64 -28.16 66.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.6 -13.19 59.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.526 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 95.3 -1.76 64.85 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.8 mt -65.54 122.47 80.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.735 0.302 . . . . 0.0 110.537 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 71.8 Cg_endo -75.51 48.04 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.424 2.75 . . . . 0.0 113.277 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 106' ' ' PRO . 49.9 mtmt 75.01 123.92 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.967 0.792 . . . . 0.0 111.861 178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 13.7 Cg_exo . . . . . 0 C--O 1.236 0.391 0 C-N-CA 122.909 2.406 . . . . 0.0 111.33 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.441 -0.901 0 CA-C-O 121.337 0.589 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 13' ' ' ALA . 1.5 p -135.27 139.38 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.364 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 30' ' ' VAL . 32.9 pt -99.52 141.59 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -97.84 107.95 20.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 110.532 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.66 101.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.773 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 58.45 55.61 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.694 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.15 -21.21 7.2 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.782 -0.644 . . . . 0.0 113.292 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -104.4 142.64 34.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 94.3 mt-30 -104.3 134.22 47.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.083 0.468 . . . . 0.0 111.23 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.78 134.12 55.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.207 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -70.51 125.99 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.514 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 20' ' ' LEU . 33.5 m -128.01 169.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.061 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.86 -175.56 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -69.49 -19.24 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.616 0.246 . . . . 0.0 111.422 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.29 -28.76 23.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.318 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.69 0.67 12.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 101' ' ' ARG . 20.8 m-85 -65.06 125.9 26.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.833 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 31.9 tp -54.45 104.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.449 0.468 . . . . 0.0 110.15 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -94.79 -2.46 50.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -107.34 82.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 89.51 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.274 0.559 . . . . 0.0 111.041 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -96.72 -37.64 10.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.408 176.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 13.7 t70 -166.79 -38.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.689 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.529 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 83.5 t90 79.72 122.68 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.095 0.872 . . . . 0.0 110.951 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -115.14 151.86 46.13 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.688 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -49.95 -34.95 39.23 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.296 2.664 . . . . 0.0 113.165 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.3 67.09 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.791 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 5' ' ' ILE . 78.3 t -60.94 -48.16 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.64 78.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.785 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 42' ' ' LEU . 21.2 t70 -59.24 -55.1 39.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.563 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.19 -37.46 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.47 . . . . 0.0 110.517 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.536 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 34.5 ttm -68.27 -45.37 73.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.898 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -33.72 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.372 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.02 -21.13 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.041 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.17 -31.03 15.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.437 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.39 -12.64 59.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 69.56 47.3 0.67 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.539 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.2 tp -133.41 141.88 48.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.81 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -84.09 139.88 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 32' ' ' ASP . 74.6 mt -101.45 95.22 6.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 110.177 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.0 m -95.5 166.6 11.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.759 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -51.4 -33.11 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.519 ' O ' HG12 ' A' ' 49' ' ' ILE . 13.8 mm-40 -56.15 -58.9 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.146 172.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -61.1 -41.22 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.174 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -56.73 -42.96 80.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.518 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 16.0 t70 -76.1 -28.48 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.881 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.2 mm -63.78 -46.79 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 103' ' ' ALA . 69.9 mt -64.7 -41.67 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.933 175.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 38.5 t30 -57.29 -49.68 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.893 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 53' ' ' LEU . 27.6 mt -64.98 -36.09 83.29 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.588 176.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -67.01 -48.54 68.07 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.685 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 45.7 mt-10 -53.21 -44.24 67.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.817 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -77.23 -39.13 49.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.693 0.282 . . . . 0.0 111.534 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -70.0 -30.15 67.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.778 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.01 -64.79 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.556 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -75.84 -9.42 58.58 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.666 -172.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.73 19.97 11.45 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.868 0.467 . . . . 0.0 111.792 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 tt -136.95 144.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.845 0.355 . . . . 0.0 110.758 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.95 121.59 47.34 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.925 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 87.4 Cg_endo -83.9 164.68 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.942 2.428 . . . . 0.0 113.64 -174.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.2 -180.0 5.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -54.66 -47.27 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 123.101 0.251 . . . . 0.0 111.647 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.72 -51.11 68.46 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.06 0.457 . . . . 0.0 110.977 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 39.4 t -66.82 -46.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.936 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 73' ' ' VAL . 65.8 tp -56.73 -56.97 14.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.33 -178.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.499 HG23 HD23 ' A' ' 87' ' ' LEU . 19.1 m -55.87 -37.0 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.06 -175.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -82.65 -28.42 30.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.29 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.66 55.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.976 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 69' ' ' LEU . 86.1 t -57.72 -29.52 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 176.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -69.6 -10.35 63.55 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.375 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.12 -19.8 15.61 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.612 -0.346 . . . . 0.0 111.215 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.3 -35.68 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.818 -169.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -100.3 -45.61 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.844 0.354 . . . . 0.0 110.514 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.575 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 171.0 149.18 6.34 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -73.58 -15.09 61.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.279 0.539 . . . . 0.0 111.746 -173.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 22.9 mp0 -77.84 -24.37 48.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.512 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 8.8 mptt -87.93 110.23 20.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.326 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.91 -25.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.261 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -63.32 139.82 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 174.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -59.74 -26.96 66.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.655 0.264 . . . . 0.0 110.618 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -46.56 -45.46 18.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.97 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -59.69 -58.51 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.983 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.499 HD23 HG23 ' A' ' 70' ' ' THR . 4.4 mm? -69.71 -34.26 73.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.745 -174.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.32 -6.83 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.2 m -94.19 -30.54 14.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.75 -44.97 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.472 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 82.9 m-85 -121.98 103.23 39.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.281 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.05 -5.54 14.55 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.1 2.534 . . . . 0.0 113.021 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.26 16.12 13.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.86 101.75 2.12 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.337 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.495 ' HB3' HD12 ' A' ' 87' ' ' LEU . 72.5 Cg_exo -49.3 -60.37 0.89 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.43 2.753 . . . . 0.0 112.956 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.65 76.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.453 ' HA ' ' HG ' ' A' ' 100' ' ' CYS . 54.6 tttp -72.22 -44.97 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -172.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -68.47 -43.78 76.23 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.21 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.72 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.757 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.5 p -69.0 -27.71 65.94 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.523 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.536 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 44.0 ttm180 -61.34 -50.19 73.95 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 23.0 m-85 -64.67 -33.91 77.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.057 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -78.0 -23.18 48.42 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.388 0.43 . . . . 0.0 111.549 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.833 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 86.89 30.52 20.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.444 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 75.9 mt -86.76 116.66 66.78 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.94 86.8 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.225 2.617 . . . . 0.0 113.312 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 108' ' ' PRO . 14.0 ptmm? 35.57 88.24 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 124.587 1.155 . . . . 0.0 113.115 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 9.4 Cg_endo . . . . . 0 C--O 1.235 0.37 0 C-N-CA 123.639 2.892 . . . . 0.0 113.124 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 21.5 p -136.53 131.82 34.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -176.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.498 HD11 HG13 ' A' ' 30' ' ' VAL . 30.2 pt -95.22 128.27 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -93.56 102.35 14.54 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.289 0.566 . . . . 0.0 110.75 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.09 129.46 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.078 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t70 65.98 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.588 0.555 . . . . 0.0 110.172 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 8.42 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -112.61 137.37 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.541 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 0.4 OUTLIER -89.07 108.66 19.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.094 176.06 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.01 124.41 35.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.01 123.32 21.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.629 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 20' ' ' LEU . 23.5 m -133.09 152.68 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.009 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -179.08 5.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.61 -25.11 60.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.62 -18.23 56.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.109 0.481 . . . . 0.0 109.762 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.53 17.61 13.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.299 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -87.02 139.91 30.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.065 0.432 . . . . 0.0 110.452 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.729 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 54.5 tp -63.81 116.73 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -84.27 -21.33 31.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.111 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -106.84 88.47 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.212 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.97 105.03 16.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -147.47 -71.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.422 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.34 -62.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 66.9 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.721 0.638 . . . . 0.0 111.259 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.75 155.59 77.03 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.619 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.04 -34.32 46.4 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.887 2.391 . . . . 0.0 112.639 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.43 -27.66 63.65 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.126 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG13 HD11 ' A' ' 5' ' ' ILE . 84.6 t -65.33 -50.7 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.03 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.92 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.084 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.4 -39.31 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.984 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.96 -46.77 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.261 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.84 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.736 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.14 -25.24 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.518 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -74.79 -50.99 15.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.248 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -16.57 64.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.874 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 t30 66.1 61.77 0.61 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.722 0.772 . . . . 0.0 109.974 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 tp -129.51 113.45 14.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.461 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.96 101.1 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.45 103.91 3.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -91.98 -176.36 4.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.481 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.54 -37.3 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.542 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 49' ' ' ILE . 36.5 mt-10 -72.34 -37.2 68.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.579 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.31 -47.27 71.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -61.4 -35.31 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.451 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.22 -38.14 75.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.953 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.0 mm -62.0 -47.37 93.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.195 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -44.32 91.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.068 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.452 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.7 t30 -55.31 -49.76 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.991 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' HZ ' ' HB1' ' A' ' 72' ' ' ALA . 65.6 t80 -61.29 -38.7 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 53' ' ' LEU . 24.3 mt -62.88 -37.5 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.007 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HE ' ' CD ' ' A' ' 58' ' ' GLU . 31.4 ttt180 -69.06 -41.34 77.71 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.928 176.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 50.8 mt-10 -56.45 -51.92 66.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.596 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.08 -39.92 87.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -68.38 -45.77 71.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.24 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' CD ' ' HE ' ' A' ' 54' ' ' ARG . 50.4 mt-10 -70.46 -17.9 62.99 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.97 -49.89 6.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -109.23 -6.25 15.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 59.98 28.91 18.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.375 0.607 . . . . 0.0 110.527 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -122.4 124.89 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.801 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -93.59 110.96 50.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.51 162.57 21.98 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.589 2.193 . . . . 0.0 113.565 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.24 -162.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.614 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.18 -65.52 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -70.67 -27.53 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.666 0.269 . . . . 0.0 111.055 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.12 -40.5 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.074 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 73' ' ' VAL . 67.6 tp -64.23 -50.38 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.345 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -48.42 -42.5 32.33 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.726 0.641 . . . . 0.0 112.04 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -56.87 -43.61 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.543 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -90.51 -7.88 51.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.748 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 69' ' ' LEU . 73.5 t -63.72 -31.38 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.5 176.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.66 -24.53 69.71 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.732 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -86.98 -25.78 24.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HG3' HD12 ' A' ' 77' ' ' LEU . 60.2 tptt -89.09 -60.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.392 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.508 HD13 HG13 ' A' ' 73' ' ' VAL . 10.4 mp -86.38 -66.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.561 -174.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.03 -170.83 43.21 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.016 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 43.1 tptt -78.56 110.93 14.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.798 0.332 . . . . 0.0 110.717 -173.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 61.91 12.62 4.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.949 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.28 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.417 ' HA3' HG11 ' A' ' 73' ' ' VAL . . . -76.69 -40.4 26.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p30 38.43 -96.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 112.819 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -168.35 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.23 -39.18 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.505 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -59.0 -45.03 91.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 2.7 mm? -61.83 -40.62 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.58 -18.03 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.707 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -81.37 -31.11 33.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.993 0.425 . . . . 0.0 110.004 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.4 mt -71.06 -47.77 56.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.87 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.534 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 55.2 m-85 -124.04 95.29 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.08 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.22 -22.25 61.11 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 123.243 2.628 . . . . 0.0 112.869 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -84.79 -7.88 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.083 0.468 . . . . 0.0 110.406 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 130.05 119.03 2.09 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.306 -0.717 . . . . 0.0 111.306 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.545 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.3 Cg_endo -52.18 -56.76 2.6 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.514 2.809 . . . . 0.0 112.829 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.84 76.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -51.14 -60.24 3.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.84 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -68.97 -42.48 76.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.466 -175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.27 90.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -70.84 -34.18 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 110.252 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -58.7 -52.23 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.679 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -68.1 -26.68 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.48 -20.69 54.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 111.522 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 99.14 17.54 26.99 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.894 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.631 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 92.9 mt -87.15 114.84 60.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.76 84.17 1.28 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 123.094 2.53 . . . . 0.0 113.596 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 mttm 54.2 65.63 5.1 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.153 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 55.3 Cg_endo . . . . . 0 C--N 1.346 0.418 0 C-N-CA 122.977 2.451 . . . . 0.0 112.893 -172.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.799 0.333 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 13' ' ' ALA . 35.8 p -125.57 127.82 46.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.814 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.545 HG13 ' HB2' ' A' ' 12' ' ' PHE . 19.6 pt -89.54 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 109.996 174.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.12 109.31 20.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.506 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.2 t -120.74 92.04 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.757 0.313 . . . . 0.0 111.459 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 61.22 44.53 9.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.113 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.46 36.46 23.41 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.776 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -150.23 122.28 8.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 117.45 31.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.735 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' HB2' HG13 ' A' ' 5' ' ' ILE . 94.6 m-85 -105.47 116.09 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.281 176.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -76.45 121.96 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.31 151.89 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.213 0.53 . . . . 0.0 111.134 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.64 162.77 28.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.901 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.53 -17.9 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.7 -1.12 57.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.88 38.97 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.553 175.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -98.81 138.77 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.223 0.511 . . . . 0.0 110.649 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.98 126.81 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -86.35 -36.23 19.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.026 0.441 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -91.09 83.93 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.922 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD21 ' O ' ' A' ' 104' ' ' GLY . 75.8 mt -87.62 88.53 7.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -163.99 -44.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.104 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.08 -87.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 66.79 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.991 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.13 160.42 68.59 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.402 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.56 -34.22 51.42 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.689 2.259 . . . . 0.0 112.281 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -28.72 62.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.094 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.09 -52.13 64.32 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 120.964 0.411 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -67.31 -40.92 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.434 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.37 -59.39 5.41 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.324 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.63 -39.12 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.89 ' HG2' HH21 ' A' ' 101' ' ' ARG . 41.3 ttm -67.89 -38.22 82.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.0 69.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.427 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -72.53 -23.03 60.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.57 -47.18 87.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.256 0.55 . . . . 0.0 109.636 173.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -15.77 57.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.732 176.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 65.83 81.54 0.2 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.549 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.52 122.5 22.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.781 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -72.07 104.56 3.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.051 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.92 91.76 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -179.65 6.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 173.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.262 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -63.63 -47.48 81.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.202 173.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -45.59 75.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.271 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.66 -31.3 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.0 -44.63 92.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.187 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.69 -44.08 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.616 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.34 -46.88 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.564 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 50.5 t30 -61.25 -46.51 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.097 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -58.06 -40.88 82.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.501 HD21 HD13 ' A' ' 69' ' ' LEU . 25.8 mt -70.43 -32.41 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.34 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -66.09 -44.38 84.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 41.0 mt-10 -66.5 -33.29 75.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.517 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.57 -49.38 76.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.48 -34.08 75.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.2 0.524 . . . . 0.0 110.331 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.73 -41.33 99.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.378 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.65 -51.09 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.61 -22.39 50.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.127 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 64.46 24.02 13.05 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.599 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 tt -147.31 148.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.05 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 108' ' ' PRO . . . -96.83 132.19 26.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.83 152.27 8.6 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.71 2.273 . . . . 0.0 113.35 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.92 177.94 7.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.137 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.56 -38.4 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -174.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.32 -12.91 61.0 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.6 t -93.62 -47.18 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 HD21 ' A' ' 53' ' ' LEU . 64.3 tp -57.8 -40.38 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.5 m -56.57 -41.2 76.51 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.81 -33.37 62.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.581 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.72 95.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.66 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.478 HG13 HD23 ' A' ' 77' ' ' LEU . 92.6 t -62.13 -34.7 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 109.96 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.96 -24.44 70.13 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.607 177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -82.72 -43.0 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.008 0.432 . . . . 0.0 110.354 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.63 -50.28 9.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.947 -173.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.478 HD23 HG13 ' A' ' 73' ' ' VAL . 4.2 mm? -87.85 -46.69 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.328 . . . . 0.0 111.156 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 149.0 170.09 16.32 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.392 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.848 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.13 -30.17 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.87 9.11 40.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.032 0.444 . . . . 0.0 111.457 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -112.82 -13.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.11 49.42 4.23 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.943 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -135.36 153.94 51.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.1 m -57.12 -29.61 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.257 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.91 -46.26 67.95 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.967 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.93 -35.97 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.348 0.594 . . . . 0.0 110.785 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.631 ' HB3' ' HG3' ' A' ' 95' ' ' PRO . 4.5 mm? -76.1 -36.51 58.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.492 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -81.35 -14.54 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 p -84.88 -27.02 26.96 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.026 173.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.64 -47.91 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.601 171.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.448 ' CB ' ' HA ' ' A' ' 95' ' ' PRO . 75.3 m-85 -129.42 111.7 17.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.695 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.59 -24.05 14.14 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.743 2.295 . . . . 0.0 113.278 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -115.64 71.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 111.555 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.65 84.77 0.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.631 ' HG3' ' HB3' ' A' ' 87' ' ' LEU . 9.9 Cg_endo -52.94 -42.06 66.74 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.417 2.744 . . . . 0.0 113.549 -176.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.07 96.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 46.0 mtpt -73.13 -45.98 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.72 -175.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -46.91 85.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.065 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.35 91.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.491 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.755 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.5 p -70.1 -34.25 72.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.977 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.89 HH21 ' HG2' ' A' ' 34' ' ' MET . 30.5 ttp180 -58.78 -44.41 90.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.151 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.421 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . 20.1 m-85 -67.36 -33.82 76.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.15 -8.73 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.006 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.462 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.45 -0.83 66.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.613 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 85.1 mt -72.12 127.52 90.32 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.519 0.2 . . . . 0.0 110.911 -177.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.25 171.31 11.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.742 2.295 . . . . 0.0 112.124 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 30.9 ttmt -63.23 111.45 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 -177.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 85.6 Cg_endo . . . . . 0 N--CA 1.458 -0.576 0 C-N-CA 122.844 2.363 . . . . 0.0 112.727 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 13' ' ' ALA . 74.2 p -121.27 128.89 52.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.205 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.512 HD11 HG13 ' A' ' 30' ' ' VAL . 27.7 pt -91.79 127.33 44.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.23 107.61 19.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.011 0.434 . . . . 0.0 110.188 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -100.47 115.51 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.57 -79.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.946 0.778 . . . . 0.0 110.865 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.05 13.62 1.11 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.671 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -124.03 132.97 53.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.594 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -88.15 120.34 29.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.51 127.85 48.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.33 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -83.66 114.55 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -176.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 20' ' ' LEU . 15.6 m -123.5 150.41 27.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.196 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.33 155.08 34.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -67.57 -17.62 64.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.276 0.56 . . . . 0.0 110.405 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 37.9 tt0 -67.27 -17.37 64.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.685 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 92.85 51.91 2.2 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.487 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' HE1' ' SG ' ' A' ' 100' ' ' CYS . 66.0 m-85 -141.02 135.28 30.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' HA ' HG12 ' A' ' 14' ' ' VAL . 55.8 tp -65.59 114.7 5.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 t -86.98 -19.75 28.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.337 0.589 . . . . 0.0 110.313 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -106.5 92.03 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.393 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD21 ' O ' ' A' ' 104' ' ' GLY . 68.3 mt -81.88 105.06 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -167.28 -33.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -124.01 -86.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.61 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.3 t90 69.57 110.09 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.523 0.729 . . . . 0.0 111.646 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -117.94 156.88 49.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.686 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.42 -31.04 76.02 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.956 2.438 . . . . 0.0 112.556 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.72 -34.95 72.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.491 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 5' ' ' ILE . 88.0 t -57.63 -48.02 84.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.372 . . . . 0.0 110.494 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.37 -49.11 72.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.8 t -65.04 -36.96 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.054 0.454 . . . . 0.0 110.734 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.5 ttm -65.35 -50.73 64.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 -27.02 68.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.787 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -64.49 -35.62 81.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.94 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.81 -35.62 51.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -77.97 -7.54 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.57 32.31 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 109.798 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.2 tp -107.28 151.55 25.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.333 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -85.21 143.66 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.789 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.7 mt -117.92 90.52 3.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.007 172.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.1 p -91.1 -177.71 4.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.067 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.81 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.091 0.472 . . . . 0.0 109.897 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 tp10 -72.22 -49.18 37.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 50' ' ' ILE . 70.3 m80 -61.54 -50.76 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.935 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -59.68 -33.0 71.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.34 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.06 -48.46 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 45' ' ' GLU . 42.5 mm -63.2 -43.1 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.4 mt -57.3 -51.55 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.747 178.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -68.89 -35.78 77.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.68 -40.24 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.73 HD21 HD13 ' A' ' 69' ' ' LEU . 18.7 mt -64.64 -42.26 95.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.132 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -63.39 -44.83 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.639 -0.424 . . . . 0.0 109.951 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.04 -49.35 73.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.896 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -61.8 -38.0 86.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.662 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 60.6 t80 -74.04 -41.11 62.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.242 -177.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.12 -22.28 60.57 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.277 -0.265 . . . . 0.0 111.42 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -94.44 -58.82 2.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -84.88 -21.45 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 84.5 mm-40 65.54 20.05 11.6 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.152 -176.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.5 mt -117.54 139.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -99.34 109.98 56.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.16 129.31 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.055 2.503 . . . . 0.0 113.28 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.91 -173.96 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.196 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.59 -35.47 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -174.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.21 -12.12 55.36 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.63 -41.33 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.963 0.411 . . . . 0.0 110.804 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.73 HD13 HD21 ' A' ' 53' ' ' LEU . 56.5 tp -59.71 -39.54 84.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -178.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -59.22 -44.42 92.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 111.416 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.99 -42.11 97.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.39 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.253 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.2 -39.19 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.529 ' HA2' ' HA ' ' A' ' 80' ' ' GLU . . . -61.61 -31.77 79.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.049 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -88.3 -21.92 24.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -77.43 -42.43 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.766 ' HG ' ' HE2' ' A' ' 81' ' ' LYS . 3.8 mm? -79.67 1.2 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.267 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.96 -58.98 4.99 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.27 149.47 21.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.529 ' HA ' ' HA2' ' A' ' 74' ' ' GLY . 2.0 mp0 -71.54 68.85 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.208 0.528 . . . . 0.0 110.038 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.766 ' HE2' ' HG ' ' A' ' 77' ' ' LEU . 40.1 ttpt -71.34 -40.99 70.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.798 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.3 46.82 2.84 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.663 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.54 -48.09 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.4 p -161.31 -72.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -54.11 -42.31 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 12.0 t80 -64.01 -47.02 81.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.414 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.494 HD23 HD12 ' A' ' 90' ' ' LEU . 36.7 mt -68.82 -31.11 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.612 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -74.61 -24.15 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m -82.16 -32.38 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.811 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 87' ' ' LEU . 89.4 mt -68.12 -46.36 71.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.222 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.686 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 52.1 m-85 -129.07 92.29 39.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.88 -16.37 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.285 2.657 . . . . 0.0 113.303 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -96.69 13.5 28.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.429 0.633 . . . . 0.0 109.785 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.59 114.21 2.12 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.409 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.564 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 77.2 Cg_exo -50.8 -60.1 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.106 2.537 . . . . 0.0 112.348 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.32 79.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -57.36 -54.02 51.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.037 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 14.7 mm100 -79.12 -30.54 43.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.397 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.72 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 28.6 p -70.68 -29.79 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.268 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.544 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 58.7 ttt85 -49.52 -52.44 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.884 175.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.422 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . 22.8 m-85 -81.23 -25.7 36.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 100' ' ' CYS . . . -75.15 -16.39 60.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.514 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.438 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.63 1.94 63.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.472 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 68.0 mt -80.28 117.87 69.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 110.147 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.95 80.22 2.69 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.512 . . . . 0.0 114.094 -172.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HD2' ' OE1' ' A' ' 17' ' ' GLU . 80.0 tttt 64.56 92.03 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.359 166.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.546 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 54.5 Cg_endo . . . . . 0 N--CA 1.457 -0.639 0 C-N-CA 123.948 3.099 . . . . 0.0 112.463 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.234 0.247 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -143.01 129.12 19.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.61 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' A' ' 12' ' ' PHE . 32.6 pt -99.4 128.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.42 108.89 21.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.902 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.1 t -115.31 98.02 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.601 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.41 -65.3 0.3 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.639 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.34 0.73 0.95 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.184 -1.007 . . . . 0.0 113.501 -176.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -130.82 136.21 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.409 0.604 . . . . 0.0 111.312 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.79 113.1 25.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.573 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.402 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.5 m-85 -91.45 118.93 30.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.504 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -119.68 157.94 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.244 0.545 . . . . 0.0 111.37 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.5 166.61 18.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.412 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.73 -20.0 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 0.18 56.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.774 174.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.47 22.64 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.613 175.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -99.75 137.32 38.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.19 0.495 . . . . 0.0 110.444 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 61.1 tp -71.16 117.79 13.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 109.923 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 t -91.81 31.67 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.057 0.456 . . . . 0.0 110.671 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -159.33 88.3 0.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.971 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD11 ' HD3' ' A' ' 106' ' ' PRO . 65.9 mt -81.79 96.82 7.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.239 0.542 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -164.48 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.871 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.03 -88.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.548 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.462 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 87.3 t90 58.82 102.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.424 0.631 . . . . 0.0 111.32 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 29.4 m -96.43 160.64 29.17 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 173.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 9.6 Cg_endo -53.37 -33.14 65.14 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.514 2.143 . . . . 0.0 111.979 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.66 -31.14 63.37 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.904 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.97 -50.24 81.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.985 0.392 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 -42.45 87.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 32.9 t70 -61.46 -49.7 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.089 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 79.7 t -66.57 -39.17 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 0.0 110.686 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.06 -51.02 71.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.098 0.475 . . . . 0.0 110.482 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.97 74.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 13.5 ttmm -61.66 -33.49 74.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 72.4 mt-30 -60.97 -34.62 75.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.53 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.413 ' CG ' HH12 ' A' ' 101' ' ' ARG . 4.2 m-20 -89.97 0.25 57.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.536 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m120 67.49 19.74 9.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.708 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.09 131.47 35.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.45 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.57 126.88 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -86.26 117.96 25.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.5 p -98.78 -170.74 1.98 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.191 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.72 -50.32 66.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.187 0.518 . . . . 0.0 110.788 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 49' ' ' ILE . 14.9 mp0 -66.72 -36.47 82.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.06 -178.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -62.57 -52.61 62.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.579 0.228 . . . . 0.0 110.714 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -59.16 -37.88 78.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.39 -48.96 75.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.099 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.1 mm -62.5 -46.56 96.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.926 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.0 -47.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.779 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 62.9 t30 -63.66 -44.17 94.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.461 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.57 -39.96 77.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.836 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.662 HD21 HD13 ' A' ' 69' ' ' LEU . 18.6 mt -62.32 -42.9 99.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.407 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 55.0 ttt180 -63.73 -46.42 85.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 17.8 mm-40 -52.29 -50.44 62.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.397 0.618 . . . . 0.0 110.666 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.96 -47.53 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.063 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.26 -31.28 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.703 0.287 . . . . 0.0 111.547 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.52 -27.98 62.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 110.404 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -91.04 -49.37 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.506 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -90.53 -25.43 20.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.66 23.48 13.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.469 0.652 . . . . 0.0 110.069 -170.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.17 128.37 73.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.979 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.39 116.13 66.05 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.597 0.236 . . . . 0.0 110.451 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.68 126.5 17.62 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.833 2.355 . . . . 0.0 112.732 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.94 -175.61 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.138 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.0 t -56.26 -48.81 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.632 0.253 . . . . 0.0 111.569 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.0 -45.33 86.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.994 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.159 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD13 HD21 ' A' ' 53' ' ' LEU . 59.5 tp -64.18 -51.53 63.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.1 m -59.43 -37.83 79.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.5 -39.33 93.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.951 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.62 -42.07 64.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.654 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 69' ' ' LEU . 95.6 t -58.94 -37.47 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.53 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -64.74 -15.56 60.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.242 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -109.15 -32.41 7.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.84 0.32 . . . . 0.0 111.231 177.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 76' ' ' LYS . 2.2 tmtp? -64.91 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.4 mm? -86.52 14.68 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.089 0.471 . . . . 0.0 110.796 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.34 -103.63 2.07 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.694 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -132.72 12.68 4.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.989 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 81' ' ' LYS . 14.5 tt0 -136.17 164.61 27.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.963 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 80' ' ' GLU . 62.7 mttp 74.1 -56.89 0.63 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.407 0.683 . . . . 0.0 112.623 173.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.53 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -54.89 103.55 0.21 Allowed Glycine 0 CA--C 1.519 0.328 0 O-C-N 123.205 0.316 . . . . 0.0 113.527 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.04 160.69 39.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 p -61.77 -43.82 98.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.982 0.42 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.2 -37.92 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.559 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.44 ' OH ' ' HG2' ' A' ' 45' ' ' GLU . 74.2 t80 -63.02 -42.66 99.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.786 -177.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 3.9 mm? -65.6 -37.47 86.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.13 -24.93 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 111.035 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.7 m -82.1 -20.48 38.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 110.547 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 95.4 mt -82.31 -50.14 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.785 174.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 35.6 m-85 -127.63 97.19 31.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.988 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.33 -26.96 55.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.032 2.488 . . . . 0.0 113.128 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -90.74 27.21 1.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.143 0.497 . . . . 0.0 110.673 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.45 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 107.78 114.49 3.83 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.885 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.2 Cg_endo -50.83 -64.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.281 2.654 . . . . 0.0 112.714 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.2 61.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -63.45 -54.86 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.322 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.563 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 10.5 mm-40 -67.17 -44.77 78.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.877 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.926 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.6 p -65.81 -37.71 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.413 HH12 ' CG ' ' A' ' 38' ' ' ASP . 40.7 ttt180 -58.41 -46.61 86.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.28 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -67.74 -29.29 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.13 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.82 -10.09 49.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.926 0.393 . . . . 0.0 111.258 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 80.76 21.87 62.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.647 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 71.7 mt -84.27 143.81 42.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.624 0.25 . . . . 0.0 110.849 -178.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 105' ' ' LEU . 24.7 Cg_exo -63.23 163.48 23.02 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.709 2.273 . . . . 0.0 111.508 174.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.493 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 93.8 mttt -63.73 112.74 7.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.476 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 11.2 Cg_exo . . . . . 0 C--N 1.344 0.34 0 C-N-CA 123.274 2.649 . . . . 0.0 112.487 -176.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 p -123.24 116.96 24.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.404 HD11 HG13 ' A' ' 30' ' ' VAL . 33.2 pt -89.15 131.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -103.8 99.62 9.4 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.452 HG22 HG21 ' A' ' 33' ' ' VAL . 47.6 t -94.18 113.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.583 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 68.66 -74.36 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.811 0.694 . . . . 0.0 110.396 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.87 20.1 0.43 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -120.09 122.5 41.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -90.89 115.09 27.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.388 . . . . 0.0 110.624 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.29 127.91 50.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.37 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.42 123.03 25.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.728 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 20' ' ' LEU . 27.3 m -128.89 143.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.52 162.94 26.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.01 -16.34 63.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.35 -8.35 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.692 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.86 17.88 33.95 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.133 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.553 ' OH ' ' HG3' ' A' ' 97' ' ' LYS . 76.3 m-85 -94.57 125.77 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.083 0.441 . . . . 0.0 111.492 -177.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.554 ' HA ' HG12 ' A' ' 14' ' ' VAL . 62.2 tp -58.38 117.85 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -95.95 12.12 31.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -138.94 92.15 2.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.649 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -84.49 93.63 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.056 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -146.94 -62.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.7 -81.13 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.3 t90 65.8 109.43 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.824 0.85 . . . . 0.0 112.147 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.36 157.63 38.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.641 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.72 -26.44 56.3 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.892 2.395 . . . . 0.0 112.244 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.47 -36.02 90.25 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.181 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 5' ' ' ILE . 57.4 t -59.09 -42.18 85.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 121.009 0.433 . . . . 0.0 110.241 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.92 70.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.937 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.38 -42.44 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.69 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.452 HG21 HG22 ' A' ' 7' ' ' VAL . 77.7 t -60.69 -41.95 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.279 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.573 ' HA ' HE21 ' A' ' 37' ' ' GLN . 66.9 mtm -75.5 -34.08 60.82 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.645 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.52 91.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.241 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -60.88 -37.72 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.86 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.573 HE21 ' HA ' ' A' ' 34' ' ' MET . 49.8 mt-30 -69.63 -27.51 65.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.76 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.42 -6.37 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.572 0.701 . . . . 0.0 109.752 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.9 42.49 12.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.713 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -113.74 122.86 48.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.41 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.14 120.62 26.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.279 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -83.64 105.98 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.496 HG22 ' OE2' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.96 175.54 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' OE2' HG22 ' A' ' 43' ' ' THR . 1.8 mp0 -58.07 -38.04 75.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.309 0.504 . . . . 0.0 110.732 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.96 -38.58 91.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.076 0.465 . . . . 0.0 110.359 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.561 ' O ' HG12 ' A' ' 50' ' ' ILE . 63.1 m80 -64.97 -48.15 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -60.29 -29.81 69.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.012 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.03 -49.25 76.76 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.67 -44.34 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.832 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 46' ' ' HIS . 48.2 mm -59.12 -49.49 83.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HZ ' ' HB1' ' A' ' 72' ' ' ALA . 86.6 t80 -59.76 -44.55 93.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.466 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 69' ' ' LEU . 24.0 mt -68.79 -29.11 67.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.2 -53.2 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.34 -34.09 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.918 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.88 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.1 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -75.43 -32.56 60.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.519 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.47 -47.48 72.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.84 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -95.17 -58.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.777 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -73.21 -23.21 60.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -172.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 59.12 35.08 23.64 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.937 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -140.71 141.38 32.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.43 56.88 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.61 148.29 32.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.42 2.08 . . . . 0.0 113.002 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.76 -177.27 6.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG22 ' HG2' ' A' ' 95' ' ' PRO . 75.3 t -56.73 -54.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.963 -174.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.08 -39.42 79.08 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.156 -0.217 . . . . 0.0 110.825 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -48.55 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 53' ' ' LEU . 59.1 tp -63.25 -48.86 76.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.981 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -59.78 -37.51 79.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.099 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -64.66 -39.56 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.006 0.432 . . . . 0.0 110.068 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -71.34 -36.7 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.572 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.597 HG13 HD23 ' A' ' 77' ' ' LEU . 79.6 t -62.51 -45.2 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.01 -20.4 66.81 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.511 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -77.44 -31.21 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.762 0.315 . . . . 0.0 110.491 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -96.63 -50.12 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.343 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.597 HD23 HG13 ' A' ' 73' ' ' VAL . 3.7 mm? -78.77 -14.41 59.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 0.0 111.134 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.78 153.23 28.24 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.632 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -71.65 -14.8 62.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.252 0.549 . . . . 0.0 110.461 -177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.87 -9.72 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.336 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -124.62 -38.31 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.76 79.82 1.53 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.234 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.571 ' O ' ' HB3' ' A' ' 86' ' ' TYR . 18.6 t-20 -100.13 164.6 11.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -64.36 -43.58 94.09 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.324 0.583 . . . . 0.0 110.07 176.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.01 -26.25 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.98 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' HB3' ' O ' ' A' ' 83' ' ' ASN . 90.7 t80 -60.49 -42.34 96.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.728 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.941 178.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -67.85 -28.03 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 111.033 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.1 t -71.04 -42.03 70.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.26 -46.05 52.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 0.0 110.805 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.663 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 71.6 m-85 -128.2 98.46 26.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.5 -45.88 3.2 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.864 2.376 . . . . 0.0 113.354 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -83.12 59.36 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.635 0.731 . . . . 0.0 110.268 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 88.75 104.87 1.02 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.854 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.754 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.5 Cg_endo -49.34 -56.93 2.69 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.32 2.68 . . . . 0.0 112.995 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.47 -37.91 59.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.553 ' HG3' ' OH ' ' A' ' 19' ' ' TYR . 56.6 tttp -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.32 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.7 mm-40 -66.99 -51.85 49.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.71 87.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.986 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 14.0 p -69.24 -36.49 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.348 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -47.16 84.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.633 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.497 ' HB2' HD12 ' A' ' 50' ' ' ILE . 21.4 m-85 -68.96 -30.52 68.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.914 0.388 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.72 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.985 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.62 10.12 86.47 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.469 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.669 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 89.6 mt -80.63 157.69 71.92 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.422 0.153 . . . . 0.0 110.597 -176.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.17 -174.27 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.938 2.425 . . . . 0.0 112.74 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.56 116.05 54.79 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.398 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.5 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 89.5 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 C-N-CA 122.982 2.455 . . . . 0.0 112.64 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.689 0.28 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 13' ' ' ALA . 34.0 p -132.67 129.25 38.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.452 HD11 HG13 ' A' ' 30' ' ' VAL . 29.9 pt -98.03 134.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.54 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.28 104.15 16.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 110.153 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.18 92.84 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.82 42.09 10.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.73 0.776 . . . . 0.0 110.266 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.51 -18.55 51.99 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.925 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -91.0 121.63 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.4 131.18 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 0.0 112.169 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -119.95 117.17 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.719 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.42 125.73 27.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -120.33 157.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.272 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.76 157.4 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.74 -17.96 64.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.954 0.407 . . . . 0.0 110.644 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 mm-40 -86.58 2.56 47.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.563 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.87 -14.48 60.18 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.915 172.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -77.36 134.88 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.165 0.483 . . . . 0.0 109.988 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.024 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 69.0 tp -59.08 131.86 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.513 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.2 t -103.16 0.75 32.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.85 107.0 9.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.5 mt -99.55 24.4 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.278 0.561 . . . . 0.0 110.267 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.96 -30.78 28.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.175 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -130.3 -79.63 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.079 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.8 t90 69.31 124.48 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.865 0.84 . . . . 0.0 112.026 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.2 159.77 68.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.354 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.55 -32.32 63.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.5 66.48 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.087 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 5' ' ' ILE . 88.8 t -60.89 -50.2 81.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.865 0.332 . . . . 0.0 110.446 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.63 -36.5 78.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.729 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 20.9 t70 -61.7 -52.41 64.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.53 -39.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 46.3 ttm -65.17 -54.24 32.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.213 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.92 69.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 27.2 ttmt -62.69 -36.55 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.142 177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.18 -37.12 78.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.107 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.97 -2.39 43.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.026 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.468 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER 64.16 31.45 13.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 178.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -105.22 122.16 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -82.18 109.45 16.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.13 113.59 20.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.6 p -96.63 -173.49 2.76 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.26 -38.73 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 49' ' ' ILE . 57.1 mp0 -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -65.6 -49.42 68.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.99 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -56.68 -39.85 74.52 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.07 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.16 -45.74 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 51.5 mm -65.15 -43.45 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.809 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.41 -52.06 65.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.232 0.539 . . . . 0.0 110.429 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -61.14 -39.52 90.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.713 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 34.6 t80 -60.79 -42.46 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.885 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 53' ' ' LEU . 27.4 mt -61.67 -36.9 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.307 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.77 -54.99 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.703 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -45.35 93.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.373 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.81 -44.83 90.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.927 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.86 -42.69 63.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.73 -22.53 61.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 111.042 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.89 -59.1 2.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.82 -8.04 55.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.934 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 60.69 37.21 19.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 111.612 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.7 tt -144.92 134.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.87 116.09 65.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.63 127.77 9.03 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.236 1.958 . . . . 0.0 113.359 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.96 175.52 5.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.805 173.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.07 -44.97 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.91 0.386 . . . . 0.0 111.267 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -68.96 -19.78 64.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.344 -177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.0 t -94.52 -37.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.208 0.528 . . . . 0.0 110.613 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 73' ' ' VAL . 42.1 tp -61.93 -37.49 84.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.831 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 p -58.51 -36.84 74.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 111.391 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -73.85 -39.31 64.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.734 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.41 82.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.101 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 69' ' ' LEU . 95.5 t -62.85 -38.54 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.85 -17.74 73.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.88 -28.26 19.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.27 . . . . 0.0 110.839 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 62.1 tttm -96.57 -55.17 3.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.273 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.9 tp -76.68 -62.41 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.439 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.51 142.7 4.65 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.644 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -66.81 -26.77 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.968 0.414 . . . . 0.0 110.925 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -76.78 -27.24 55.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.28 -4.37 25.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.587 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.83 69.3 3.08 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.078 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -61.76 -36.88 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.323 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -63.17 -36.38 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.601 -177.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.15 -37.49 87.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 43.3 mt -72.58 -33.06 66.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -71.92 -24.09 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.403 . . . . 0.0 110.4 174.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 m -76.51 -30.29 57.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.9 mt -77.06 -55.35 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.868 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.584 ' HB3' ' HG3' ' A' ' 98' ' ' GLN . 62.7 m-85 -122.21 106.45 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 -177.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.82 -22.27 23.81 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.834 2.356 . . . . 0.0 113.006 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -96.37 17.21 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 104.5 108.82 3.34 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.696 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.3 Cg_endo -49.41 -45.45 30.51 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.566 2.844 . . . . 0.0 113.333 -176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.286 0.366 . . . . 0.0 111.516 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 40.8 mttp -56.37 -43.48 79.22 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.584 ' HG3' ' HB3' ' A' ' 91' ' ' PHE . 23.5 mm-40 -65.42 -56.32 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 0.0 111.21 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.816 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -65.45 -37.32 86.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 22.7 ttt180 -52.62 -52.45 55.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.881 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -76.45 -25.03 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.4 -13.15 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.474 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 1.024 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 98.79 10.31 50.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.0 mt -96.71 131.98 27.04 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 120.665 0.269 . . . . 0.0 110.287 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.24 -171.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.565 2.177 . . . . 0.0 111.899 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -65.82 109.24 2.9 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.072 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 C-N-CA 123.31 2.674 . . . . 0.0 112.812 -176.416 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.672 0.273 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 1.9 p -133.58 121.89 22.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.869 0.366 . . . . 0.0 110.401 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 12' ' ' PHE . 30.5 pt -89.85 127.22 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.403 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 44.7 tt0 -91.08 106.68 18.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.03 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.49 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 63.93 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.789 0.68 . . . . 0.0 111.273 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.38 22.98 2.86 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.127 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 99.8 mttt -121.13 142.56 49.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -110.18 107.14 16.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.951 0.405 . . . . 0.0 110.068 174.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.7 m-85 -93.78 116.5 28.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.69 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.41 107.99 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 35.2 m -115.25 168.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.671 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.0 179.66 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.46 -42.92 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -168.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -89.22 6.52 39.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.7 65.55 1.05 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.035 176.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -142.53 119.65 11.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 2.4 pt? -73.55 119.49 17.85 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.557 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.86 -18.95 61.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.859 -174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.04 91.79 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.89 85.5 6.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.339 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -158.01 -69.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.01 43.12 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.247 0.546 . . . . 0.0 111.388 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -66.51 118.11 9.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.45 160.87 40.04 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.6 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.87 -36.19 62.49 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.89 2.394 . . . . 0.0 112.673 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -35.43 66.98 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.728 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.41 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.005 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -58.78 -51.28 70.66 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.775 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 90.3 t -64.59 -40.36 88.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.16 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.625 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -66.72 -27.91 68.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.232 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.82 -26.39 63.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 33' ' ' VAL . 15.6 mm100 -75.15 -45.43 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.66 -14.51 56.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 0.0 110.533 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 67.55 70.82 0.35 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.997 0.903 . . . . 0.0 110.775 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.625 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 9.5 tt -152.54 107.55 3.23 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.242 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.56 119.23 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.989 -173.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.07 109.97 8.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.472 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 44' ' ' GLU . 1.3 m -101.39 -178.15 3.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.622 ' H ' HG22 ' A' ' 43' ' ' THR . 56.1 mt-10 -52.94 -42.93 65.9 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.685 0.279 . . . . 0.0 111.653 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 49' ' ' ILE . 8.4 mp0 -60.14 -46.08 90.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -65.26 -47.38 76.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.092 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -59.03 -39.32 81.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.402 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.93 -40.54 97.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.7 mm -71.3 -45.11 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 103' ' ' ALA . 92.9 mt -62.9 -47.53 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.229 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -67.55 -32.56 73.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.22 -45.8 91.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.971 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.641 HD21 HD13 ' A' ' 69' ' ' LEU . 46.4 mt -63.99 -37.89 89.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 54' ' ' ARG . 8.1 ttt180 -56.54 -55.99 26.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 176.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 58' ' ' GLU . 35.5 mt-10 -72.3 -24.39 61.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.348 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.11 -44.03 96.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.392 0.615 . . . . 0.0 109.36 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -73.56 -34.81 65.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.797 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.538 ' HB3' ' HA ' ' A' ' 55' ' ' GLU . 11.2 tp10 -56.82 -47.86 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.588 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -84.21 -56.09 3.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -92.15 -13.43 30.68 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -169.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.475 ' N ' HE21 ' A' ' 61' ' ' GLN . 0.0 OUTLIER 59.77 28.72 18.23 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.1 tt -135.67 141.18 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.742 0.306 . . . . 0.0 110.553 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.39 116.36 65.89 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.863 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.75 132.9 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.351 2.034 . . . . 0.0 112.651 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.38 172.26 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.635 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.87 -47.28 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.305 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 67' ' ' ARG . 43.6 mtp-105 -59.74 -44.58 93.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.26 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.32 -41.74 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.641 HD13 HD21 ' A' ' 53' ' ' LEU . 58.1 tp -61.97 -39.06 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -57.08 -36.36 70.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.009 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -83.6 -42.97 16.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.746 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.75 88.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.48 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.727 HG13 HD23 ' A' ' 77' ' ' LEU . 1.1 t -65.98 -22.91 31.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.47 -48.15 66.25 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.065 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -65.99 -17.08 64.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.758 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -87.5 -35.14 18.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.921 0.391 . . . . 0.0 110.375 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.727 HD23 HG13 ' A' ' 73' ' ' VAL . 4.6 mm? -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.79 -127.14 7.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.028 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -121.72 -24.47 5.28 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.585 -0.362 . . . . 0.0 110.089 175.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.13 -62.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.112 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 77' ' ' LEU . 62.2 mttp -88.88 -171.49 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -174.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 86' ' ' TYR . . . 111.93 -122.88 6.16 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -168.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 66.23 170.02 0.23 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.324 0.583 . . . . 0.0 111.705 169.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 p -85.47 -44.95 12.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.747 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.47 -41.97 86.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.502 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 54.4 t80 -59.0 -44.82 91.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.839 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 50.2 mt -72.57 -30.74 64.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -71.62 -34.95 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.973 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -73.65 -18.89 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.426 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 56.4 mt -79.81 -54.21 6.06 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.66 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 67.4 m-85 -123.46 104.04 34.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.99 -42.39 30.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.321 2.681 . . . . 0.0 113.824 -173.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.68 -1.04 25.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.778 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.47 122.0 2.26 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.839 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 66.2 Cg_exo -50.82 -62.29 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.393 2.728 . . . . 0.0 112.892 -175.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.45 -36.88 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.122 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.26 -50.46 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.628 -173.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 15.6 mm100 -68.85 -41.26 78.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.791 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.9 88.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.76 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.3 p -69.22 -26.06 64.62 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.63 -40.09 92.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.263 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.86 -29.87 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.483 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -79.2 -16.25 56.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.151 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.497 ' HA3' ' CD2' ' A' ' 20' ' ' LEU . . . 85.26 8.69 81.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.786 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.76 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 93.4 mt -74.16 142.22 78.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.539 0.209 . . . . 0.0 110.616 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.46 134.5 61.59 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.342 2.028 . . . . 0.0 111.158 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -51.07 114.24 4.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 O-C-N 123.74 0.65 . . . . 0.0 111.81 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 C--N 1.343 0.27 0 C-N-CA 123.269 2.646 . . . . 0.0 112.424 -177.756 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 69.9 mtm . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.09 131.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.016 0.823 . . . . 0.0 109.811 -172.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.41 162.88 25.29 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.777 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 p -113.73 133.42 55.36 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.422 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.455 HD11 HG13 ' A' ' 30' ' ' VAL . 35.4 pt -89.72 163.29 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.475 -179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -106.4 110.31 22.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.022 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.4 112.46 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.06 22.8 13.04 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.383 0.427 . . . . 0.0 111.165 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.74 85.39 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.897 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -87.83 141.59 28.47 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.91 107.54 19.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.408 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -99.19 132.2 44.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.1 118.03 21.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.293 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 20' ' ' LEU . 25.2 m -124.62 151.77 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.717 176.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.48 150.86 48.32 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 174.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 30.2 tt0 -64.92 -17.08 64.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.738 0.304 . . . . 0.0 111.3 -174.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -75.9 -11.34 59.95 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.83 0.348 . . . . 0.0 111.3 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 96.47 39.31 4.23 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.162 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 79.8 m-85 -129.23 120.43 25.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.531 ' HA ' HG12 ' A' ' 14' ' ' VAL . 54.2 tp -57.4 120.1 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.96 0.41 . . . . 0.0 110.993 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 p -93.78 -33.8 13.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.061 0.458 . . . . 0.0 110.202 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -79.52 82.17 5.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.608 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -85.76 38.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 110.727 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -102.23 7.9 40.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.356 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -159.37 -86.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.853 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.7 t90 67.53 109.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.417 0.687 . . . . 0.0 111.399 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.43 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.9 m -116.13 163.35 21.84 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.669 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 52.3 Cg_exo -53.65 -34.35 73.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.726 2.284 . . . . 0.0 112.574 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -59.6 -34.64 82.54 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.348 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG13 HD11 ' A' ' 5' ' ' ILE . 91.1 t -59.57 -51.67 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.035 0.445 . . . . 0.0 110.339 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.953 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.79 -46.51 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 29' ' ' GLY . 81.5 t -64.12 -36.57 77.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.918 0.39 . . . . 0.0 110.926 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.466 ' HE3' ' HA ' ' A' ' 102' ' ' PHE . 69.4 mtm -71.37 -31.65 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.829 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -72.22 -39.27 68.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.47 -37.83 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.074 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.16 -14.37 61.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.61 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -106.34 -10.71 16.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.121 0.486 . . . . 0.0 109.96 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.44 33.95 8.43 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.934 -177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 8.0 tt -108.63 123.91 49.68 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.25 140.53 29.45 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.75 0.31 . . . . 0.0 110.359 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -105.24 106.44 16.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.515 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -92.04 -175.55 4.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.8 -26.41 68.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.768 0.318 . . . . 0.0 110.686 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -66.15 -48.27 71.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.918 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 50' ' ' ILE . 75.1 m80 -63.41 -48.71 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.524 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.25 -32.44 72.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.901 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.3 -43.36 86.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -69.36 -43.31 81.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.109 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 46' ' ' HIS . 86.9 mt -59.98 -48.6 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.567 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.07 -35.02 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.101 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -58.85 -52.67 64.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 69' ' ' LEU . 68.8 mt -62.19 -39.95 94.45 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.727 0.299 . . . . 0.0 111.095 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 tpt85 -57.52 -50.62 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.456 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -68.24 -47.91 66.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.885 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.5 -48.86 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.982 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -66.86 -35.4 79.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.694 0.283 . . . . 0.0 110.673 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.22 -37.68 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.672 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.3 -41.27 12.26 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -94.0 -20.58 19.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 66.67 18.38 10.72 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.502 0.501 . . . . 0.0 110.72 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.5 mt -116.87 134.08 61.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.191 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.56 111.48 61.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.32 118.59 5.7 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.744 2.296 . . . . 0.0 112.718 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.03 177.03 4.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.941 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.66 -34.79 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-O 120.708 0.29 . . . . 0.0 111.485 -175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 67' ' ' ARG . 12.8 mmt180 -68.79 -30.92 69.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -86.94 -46.44 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.745 -176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 53' ' ' LEU . 50.8 tp -53.55 -48.81 68.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.367 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -56.93 -34.92 68.47 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.713 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -75.49 -49.53 18.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.375 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.78 80.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.776 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.84 -31.74 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' HA2' ' H ' ' A' ' 82' ' ' GLY . . . -59.48 -41.76 97.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.414 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -83.83 -37.37 22.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.421 . . . . 0.0 111.008 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -69.28 -57.33 5.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.551 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -68.87 -43.14 75.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.609 -171.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -159.34 -135.43 1.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.302 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -91.39 -54.16 4.03 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.966 0.412 . . . . 0.0 110.667 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -148.08 35.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.35 0.595 . . . . 0.0 109.559 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -70.68 -14.9 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.305 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.405 ' H ' ' HA2' ' A' ' 74' ' ' GLY . . . -76.54 80.38 1.17 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.208 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 146.56 39.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.594 0.235 . . . . 0.0 110.49 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.419 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 8.1 m -57.68 -47.77 81.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.136 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.23 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.465 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -61.52 -43.97 97.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.769 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.75 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.0 mm? -64.92 -39.31 93.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.248 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.419 ' HD1' ' O ' ' A' ' 84' ' ' SER . 35.6 m-85 -72.77 -21.61 60.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 0.0 111.471 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 m -81.57 -22.09 38.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.045 0.45 . . . . 0.0 110.351 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.05 -47.07 8.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.56 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.3 m-85 -121.57 92.55 48.71 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.193 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.03 -4.96 16.14 Favored 'Trans proline' 0 CA--C 1.528 0.185 0 C-N-CA 123.146 2.564 . . . . 0.0 113.026 -175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -97.32 -15.29 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 138.68 102.39 0.56 Allowed Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.75 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 1.3 Cg_endo -41.55 -70.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 124.371 3.381 . . . . 0.0 114.809 -170.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.23 90.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -69.44 -39.17 77.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.207 0.527 . . . . 0.0 110.844 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -74.82 -38.59 62.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.474 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.75 -49.98 70.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 21.9 p -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.741 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 16.0 ttt180 -53.07 -49.33 66.61 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 123.29 0.369 . . . . 0.0 110.983 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.466 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 22.8 m-85 -76.61 -29.38 56.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.34 . . . . 0.0 111.305 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.44 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.35 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 84.73 21.33 56.25 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.256 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 66.1 mt -95.86 148.9 35.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -69.65 167.28 24.74 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.443 2.096 . . . . 0.0 111.744 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.8 ttmt -59.23 112.66 5.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.246 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 61.1 Cg_endo -95.02 110.37 0.14 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 123.258 2.638 . . . . 0.0 112.998 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 29.2 m -125.78 -46.88 1.69 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.096 0.474 . . . . 0.0 109.839 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.73 -174.84 53.18 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.837 -0.62 . . . . 0.0 113.164 174.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.3 m -92.69 94.51 9.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.871 0.367 . . . . 0.0 110.238 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.441 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 14' ' ' VAL . . . -179.81 173.54 1.0 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.744 -179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.66 150.12 23.75 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -125.79 117.51 23.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.888 0.375 . . . . 0.0 110.999 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' ' 12' ' ' PHE . 31.3 pt -94.18 127.97 45.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.075 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.62 99.34 11.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.252 0.548 . . . . 0.0 109.798 -177.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 12' ' ' PHE . 60.2 t -122.29 124.89 72.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.771 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.49 7.65 6.34 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.357 0.599 . . . . 0.0 110.907 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.95 -3.82 58.8 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 5.0 ttmp? -106.06 132.77 51.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.788 0.328 . . . . 0.0 110.531 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -80.96 107.94 14.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 5' ' ' ILE . 87.3 m-85 -91.6 110.66 21.98 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.749 177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.05 121.32 20.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.469 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 20' ' ' LEU . 32.6 m -121.78 144.63 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.833 178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.83 165.41 15.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.48 -27.59 66.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.76 -6.3 48.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.32 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.03 39.27 8.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.621 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -126.07 142.93 51.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.604 0.24 . . . . 0.0 110.612 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.528 ' HA ' HG12 ' A' ' 14' ' ' VAL . 56.0 tp -67.83 114.53 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.156 -175.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 m -81.29 -23.03 38.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.05 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -105.1 97.26 7.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.776 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.532 HD21 ' O ' ' A' ' 104' ' ' GLY . 79.2 mt -97.51 35.87 1.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.193 0.52 . . . . 0.0 110.737 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -71.35 -40.89 70.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.888 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 28.8 t70 -138.5 -64.32 0.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -174.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.431 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 88.0 t90 71.91 124.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 111.152 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 27.6 m -120.36 157.77 52.79 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.926 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 11.8 Cg_endo -56.18 -31.2 82.79 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.992 2.462 . . . . 0.0 112.468 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.47 -30.49 71.78 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.692 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG13 HD11 ' A' ' 5' ' ' ILE . 92.4 t -62.87 -46.86 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.964 0.411 . . . . 0.0 109.922 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.13 95.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.931 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.03 -36.54 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.226 0.536 . . . . 0.0 110.953 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.454 ' HE3' ' HA ' ' A' ' 102' ' ' PHE . 20.7 ttp -76.9 -20.3 56.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.265 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.38 52.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.004 0.431 . . . . 0.0 110.263 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -63.05 -24.58 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.151 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -59.93 -32.58 70.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.18 6.39 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.709 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 61.29 23.64 13.84 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.513 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -92.16 111.1 22.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.071 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -74.15 114.62 12.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.905 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 110.15 6.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.481 . . . . 0.0 110.794 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.8 p -91.66 179.39 5.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.135 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.36 -31.91 72.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.706 -0.224 . . . . 0.0 110.461 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.07 -42.45 84.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.949 176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -63.88 -49.62 71.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.626 176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -61.1 -29.77 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.393 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -67.88 -41.24 83.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.887 0.375 . . . . 0.0 110.368 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.7 mm -67.62 -43.32 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.4 -44.84 99.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.274 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -55.18 -45.74 75.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.13 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 77.8 t80 -57.53 -57.62 11.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.021 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.604 ' HB3' HD11 ' A' ' 105' ' ' LEU . 33.9 mt -64.4 -31.88 73.27 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -60.93 2.67 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.57 -15.67 48.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.552 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -66.56 -44.32 82.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 87.3 t80 -74.94 -33.72 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.689 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.06 -48.71 67.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.729 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -80.63 -46.7 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.747 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -92.07 -26.17 18.44 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -174.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 86.7 mm-40 64.83 26.68 12.93 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.357 0.599 . . . . 0.0 110.826 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.2 mt -117.5 133.9 62.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.546 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.41 111.01 64.14 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.45 140.37 21.55 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.306 2.004 . . . . 0.0 113.317 -174.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' HB1' ' OXT' ' A' ' 112' ' ' VAL . . . -69.14 175.38 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.297 176.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 7.8 p -67.11 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.003 -173.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -71.75 -35.11 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.131 0.491 . . . . 0.0 109.938 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.55 -43.96 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.841 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.598 HD13 HD21 ' A' ' 53' ' ' LEU . 57.3 tp -57.95 -46.78 84.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.6 m -59.29 -42.05 90.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -69.69 -27.46 65.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.482 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.37 -34.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.8 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 69' ' ' LEU . 96.0 t -64.24 -35.76 74.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 14.54 4.76 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.303 174.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -124.5 -13.93 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.023 0.44 . . . . 0.0 110.236 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 57.9 tttm -102.46 -38.84 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' HB3' ' HD3' ' A' ' 81' ' ' LYS . 3.8 mm? -90.59 39.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.423 0.63 . . . . 0.0 110.662 -171.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.38 -89.16 0.72 Allowed Glycine 0 CA--C 1.502 -0.757 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.842 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 6.1 mmpt? -141.08 -82.8 0.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 171.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -108.32 92.53 4.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.734 0.778 . . . . 0.0 111.826 -176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' HB3' ' A' ' 77' ' ' LEU . 84.3 tttt -128.37 -53.38 1.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.469 173.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.666 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -94.39 54.21 2.08 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.053 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -82.43 -36.02 27.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.568 0.223 . . . . 0.0 111.322 -177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.2 t -159.64 -67.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.923 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -52.73 -49.19 65.91 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.535 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.666 ' HB3' ' HA2' ' A' ' 82' ' ' GLY . 28.5 t80 -48.67 -50.97 30.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.724 0.64 . . . . 0.0 112.157 -177.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.56 -46.09 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.544 0.202 . . . . 0.0 111.544 -175.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -69.88 -13.51 62.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.302 . . . . 0.0 111.501 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.6 m -88.9 -40.41 13.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.544 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.1 mt -68.65 -43.18 76.82 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 110.372 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.511 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 21.3 m-85 -129.32 101.84 18.95 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.587 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.66 -51.29 6.32 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 123.112 2.542 . . . . 0.0 113.526 -174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -75.27 -56.27 4.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.88 109.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.312 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.511 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 63.2 Cg_exo -51.83 -51.87 10.23 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.217 2.611 . . . . 0.0 112.421 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 66' ' ' VAL . . . -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.498 -178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.95 -47.29 85.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 111.383 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.27 -44.94 34.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.359 -176.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.64 90.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.233 -177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.688 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.4 p -66.26 -42.8 87.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.352 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -53.6 -50.93 64.58 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-O 120.703 0.287 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.454 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 22.7 m-85 -65.51 -34.09 77.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.25 -175.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . . . -79.31 -6.18 56.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.532 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 88.24 0.47 82.7 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.249 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.688 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 20.1 mt -71.76 140.06 83.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-O 120.631 0.253 . . . . 0.0 110.792 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -60.9 147.43 95.49 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.316 2.011 . . . . 0.0 111.035 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 50.3 pttt -53.19 116.09 8.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 O-C-N 123.461 0.476 . . . . 0.0 111.118 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 3.4 Cg_exo -78.79 66.12 8.68 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.3 2.666 . . . . 0.0 112.196 -175.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.1 p 66.75 -52.76 0.45 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.117 1.367 . . . . 0.0 112.635 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 -0.54 65.86 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.15 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.3 m -98.15 -11.25 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.045 0.45 . . . . 0.0 110.714 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.51 ' OXT' ' HB1' ' A' ' 65' ' ' ALA . 31.2 t . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.359 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptp . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.57 174.48 0.19 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.926 -173.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -158.78 169.84 23.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.272 . . . . 0.0 110.395 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.526 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 21.8 p -116.48 125.31 51.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.916 0.389 . . . . 0.0 111.061 -178.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 19.9 pt -89.55 130.54 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.49 177.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -84.06 106.69 15.9 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.19 103.97 15.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.794 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.18 27.19 16.99 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.073 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.93 -21.9 19.73 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.768 -0.729 . . . . 0.0 113.489 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -109.6 140.8 42.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.18 0.49 . . . . 0.0 111.369 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.526 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 53.4 mt-30 -99.57 115.66 29.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.759 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.01 130.38 50.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.562 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.03 120.18 23.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.903 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 20' ' ' LEU . 27.1 m -125.86 160.53 32.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.176 176.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.557 ' OD2' ' HB2' ' A' ' 19' ' ' TYR . 18.0 p30 -83.39 173.95 11.09 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.866 176.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.9 pm0 -77.19 12.36 1.5 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -108.03 -25.21 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 172.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.48 6.71 9.46 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.825 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.557 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 38.4 m-85 -87.7 129.37 35.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.199 0.499 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 14' ' ' VAL . 51.8 tp -66.53 117.2 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.531 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 m -91.76 -25.29 19.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.234 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -81.57 75.76 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 mt -84.28 94.5 8.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -154.98 -49.33 0.09 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.149 -174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -73.42 0.66 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.862 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.3 t90 66.41 118.4 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.621 0.724 . . . . 0.0 111.513 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.44 158.23 73.91 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.542 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -52.36 -34.28 59.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.819 2.346 . . . . 0.0 112.559 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.65 -32.41 61.48 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 121.275 -0.488 . . . . 0.0 112.664 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.22 -48.72 82.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.621 0.248 . . . . 0.0 110.377 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.28 80.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 17.1 t70 -62.62 -55.18 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.543 178.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.1 t -64.23 -39.57 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.893 0.377 . . . . 0.0 111.323 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 48.5 ttm -61.32 -49.9 75.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.578 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -68.34 -29.64 68.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.405 178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 43.0 tttp -61.8 -45.97 91.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.694 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -78.35 -22.79 47.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.476 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -85.0 -11.98 54.25 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.3 t30 65.59 40.31 4.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.526 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 48.6 tp -115.9 103.32 10.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.273 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -68.85 131.22 44.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.252 0.548 . . . . 0.0 111.13 -176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -92.94 109.72 21.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.9 p -87.52 -176.18 5.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.058 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.18 -47.01 65.74 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.429 0.633 . . . . 0.0 110.51 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.481 ' O ' HG12 ' A' ' 49' ' ' ILE . 38.6 mt-10 -69.75 -37.52 76.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.035 -176.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -60.93 -48.06 83.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.359 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -61.97 -35.76 79.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.397 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.37 -39.03 74.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.536 0.208 . . . . 0.0 111.098 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.8 mm -64.02 -44.81 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.302 176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.8 mt -61.33 -43.1 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.217 0.532 . . . . 0.0 109.81 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.08 -39.1 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.298 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -59.63 -47.45 85.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.561 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.14 -36.21 79.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.651 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -54.38 -50.39 67.64 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.663 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.02 -46.18 71.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.5 -46.79 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.007 -176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -67.39 -41.43 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.311 -177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -64.03 -33.95 76.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.983 -178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 -57.98 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -177.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.404 ' O ' HG13 ' A' ' 62' ' ' ILE . 79.5 m-85 -87.14 -21.38 26.0 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -171.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 64.66 22.89 12.7 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.649 0.38 . . . . 0.0 111.474 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 60' ' ' TYR . 66.8 mt -123.75 146.23 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.094 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.52 113.03 64.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.12 136.1 12.7 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.427 2.084 . . . . 0.0 112.618 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.71 170.08 14.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -32.94 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.927 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -68.28 -41.54 80.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.72 -39.02 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.277 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.9 tp -60.62 -55.11 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.794 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.2 m -57.9 -34.96 70.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.024 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.99 -45.4 89.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.672 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.84 -31.93 63.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.56 -177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.784 HG13 HD23 ' A' ' 77' ' ' LEU . 53.2 t -54.9 -39.24 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.049 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.0 -15.85 63.32 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 121.047 -0.597 . . . . 0.0 113.085 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.58 -14.03 16.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 110.754 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -102.55 -50.31 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 -173.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.784 HD23 HG13 ' A' ' 73' ' ' VAL . 4.1 mm? -84.82 28.47 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.746 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.11 -125.06 6.3 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.172 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -146.11 -34.8 0.29 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.77 9.64 36.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.622 0.725 . . . . 0.0 109.911 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -125.45 102.82 7.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.504 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 175.89 73.77 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.55 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -139.17 176.73 8.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.749 0.309 . . . . 0.0 110.634 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -72.76 -35.47 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.692 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 85' ' ' LYS . 1.7 tmtp? -58.85 -47.85 83.42 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -56.85 -47.71 79.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.783 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 37.4 mt -71.85 -29.01 63.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.804 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.3 -20.99 56.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.796 0.332 . . . . 0.0 111.19 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -74.88 -32.32 61.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.11 -53.62 8.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.525 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 48.4 m-85 -126.83 99.31 29.48 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.086 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.18 -18.38 50.84 Favored 'Trans proline' 0 N--CA 1.472 0.212 0 C-N-CA 123.216 2.611 . . . . 0.0 112.977 -175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -92.7 2.08 56.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.392 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 116.78 118.08 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.435 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.783 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.7 Cg_endo -50.89 -54.63 5.13 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 123.365 2.71 . . . . 0.0 112.999 -176.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.34 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.263 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.15 -52.72 64.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.825 -174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -70.13 -44.53 68.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.342 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.81 92.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.4 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.751 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 16.2 p -66.3 -32.67 74.21 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 101' ' ' ARG . 7.6 ttm180 -55.33 -51.54 66.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.485 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -66.17 -30.75 71.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.298 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . . . -86.92 -3.88 59.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.349 178.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 74.4 22.59 77.26 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.834 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.751 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 44.3 mt -87.73 139.23 31.25 Favored Pre-proline 0 C--N 1.319 -0.733 0 O-C-N 122.74 -0.27 . . . . 0.0 110.605 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.0 141.52 86.37 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.749 2.299 . . . . 0.0 111.667 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -47.87 112.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.889 0.743 . . . . 0.0 111.996 -177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 83.2 Cg_endo -81.14 24.6 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.904 2.403 . . . . 0.0 111.871 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 m -92.62 -9.4 41.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.593 0.711 . . . . 0.0 109.472 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -153.81 40.69 0.66 Allowed Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.41 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 108' ' ' PRO . 13.4 p -92.64 137.4 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.724 178.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.908 0.385 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.26 130.0 42.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -92.38 -179.8 5.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.502 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 1.6 p -142.54 125.08 15.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.922 0.391 . . . . 0.0 111.434 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.5 132.38 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.44 110.34 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.406 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.2 t -125.07 113.45 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.333 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.0 t70 70.36 -70.88 0.14 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.934 0.771 . . . . 0.0 111.042 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.25 19.66 0.2 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -129.5 138.18 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.798 0.332 . . . . 0.0 110.293 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.502 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 25.9 mt-30 -92.9 108.68 20.19 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -90.73 117.21 29.19 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.1 131.0 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.82 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.66 144.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.507 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.2 162.55 16.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.42 -24.56 45.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -98.25 7.92 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.21 49.86 5.08 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.552 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.711 ' HB3' ' HA ' ' A' ' 106' ' ' PRO . 91.5 m-85 -135.41 141.74 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.25 113.98 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 110.89 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 p -93.89 -22.31 18.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.086 0.47 . . . . 0.0 110.379 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -81.34 83.55 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.185 0.517 . . . . 0.0 110.489 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.33 74.58 10.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.144 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -111.68 -59.49 1.98 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.45 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -137.41 -50.49 0.62 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.655 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.2 t90 68.56 120.27 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.733 0.645 . . . . 0.0 111.035 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -112.13 150.39 42.39 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.661 175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.66 -30.31 55.09 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 113.118 -178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.42 -26.95 62.58 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.657 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.53 -39.55 85.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.173 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -41.39 86.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.184 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -60.17 -54.71 42.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.532 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 11.3 p -66.08 -30.58 50.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.79 0.328 . . . . 0.0 110.931 -177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.544 ' HG2' ' HG2' ' A' ' 101' ' ' ARG . 32.4 tpp -68.1 -50.84 52.38 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.37 -45.3 93.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.499 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 46.5 mt-30 -68.47 -38.56 81.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 -177.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.49 -3.34 52.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.624 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 t30 60.33 56.66 3.13 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.75 0.786 . . . . 0.0 110.287 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -140.6 151.48 44.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.585 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -98.66 161.49 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -123.5 108.25 12.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.105 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.5 p -89.86 -174.89 4.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -56.08 -38.99 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.117 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' O ' HG12 ' A' ' 49' ' ' ILE . 45.6 mt-10 -75.6 -38.16 59.24 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.757 -176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.665 ' CD2' ' HG ' ' A' ' 90' ' ' LEU . 33.4 m80 -60.37 -50.9 71.75 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.556 176.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -60.36 -32.95 71.77 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.309 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.95 -49.09 73.94 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 45' ' ' GLU . 45.9 mm -61.52 -42.13 92.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.825 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 46' ' ' HIS . 91.0 mt -56.27 -52.09 55.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -67.0 -34.85 78.65 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.58 -44.29 96.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.507 HD21 HD13 ' A' ' 69' ' ' LEU . 17.8 mt -64.44 -37.61 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.336 178.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 54' ' ' ARG . 22.1 ttt180 -60.53 -49.03 79.2 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.14 -40.22 96.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -61.12 -44.83 96.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.911 0.386 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -72.65 -40.63 66.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.801 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.28 -28.44 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.003 0.43 . . . . 0.0 110.913 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.96 -56.59 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.56 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -96.11 -10.42 28.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.929 -170.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 62.46 27.74 16.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.712 0.405 . . . . 0.0 111.795 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 tt -135.0 142.86 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.787 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.32 116.52 66.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.36 145.02 14.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.357 2.038 . . . . 0.0 113.123 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.0 176.84 8.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.405 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.88 -49.52 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.822 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -72.46 -33.36 66.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.889 0.376 . . . . 0.0 110.72 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.91 -45.71 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.128 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 73' ' ' VAL . 66.2 tp -60.49 -39.79 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.512 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 83' ' ' ASN . 58.0 m -50.86 -50.82 56.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.571 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -70.02 -30.46 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.032 0.444 . . . . 0.0 111.043 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.32 -36.35 66.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 69' ' ' LEU . 74.8 t -64.3 -39.35 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.611 178.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.93 -44.75 82.42 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.074 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -79.43 -11.15 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 122.578 -0.366 . . . . 0.0 111.19 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -73.95 -48.58 29.6 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.91 -43.93 70.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.226 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.21 -29.31 9.78 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.509 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -111.99 -169.37 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -70.07 87.04 0.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -151.3 87.31 1.38 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.914 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.613 ' HA2' ' HD2' ' A' ' 86' ' ' TYR . . . 139.41 81.85 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.027 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.432 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 27.4 t-20 -148.73 102.08 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.195 -0.202 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.9 t 55.34 -88.57 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.026 0.829 . . . . 0.0 112.639 171.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -57.19 -29.42 63.67 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 122.953 0.501 . . . . 0.0 112.071 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.613 ' HD2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -58.72 -43.47 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 70.5 mt -80.28 -31.44 38.28 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.005 -176.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -69.53 -33.41 72.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 0.0 110.609 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.7 t -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.214 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.665 ' HG ' ' CD2' ' A' ' 46' ' ' HIS . 11.7 tp -67.25 -47.41 70.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.782 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 93.7 m-85 -118.08 99.02 51.89 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.435 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.53 -14.1 38.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 123.021 2.48 . . . . 0.0 112.704 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' HB2' ' HG3' ' A' ' 98' ' ' GLN . 41.4 m-85 -103.76 10.05 36.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.046 0.451 . . . . 0.0 110.545 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.96 111.64 2.54 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.831 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.743 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 86.6 Cg_exo -47.4 -66.96 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.582 2.855 . . . . 0.0 113.409 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.78 -40.62 83.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.759 -174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -61.46 -46.23 90.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 111.631 -173.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.421 ' HG3' ' HB2' ' A' ' 93' ' ' TYR . 11.6 mm100 -76.81 -42.13 41.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.638 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.16 90.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.337 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.748 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 19.7 p -69.55 -37.05 76.87 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.142 -179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.544 ' HG2' ' HG2' ' A' ' 34' ' ' MET . 26.7 ttm180 -57.75 -43.71 85.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -73.3 -30.46 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.54 -15.42 59.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.459 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.73 12.29 38.08 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.748 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 96.0 mt -93.56 152.39 40.85 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.596 0.236 . . . . 0.0 110.507 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.711 ' HA ' ' HB3' ' A' ' 19' ' ' TYR . 70.2 Cg_endo -75.08 -166.83 0.37 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.076 176.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 39.0 tttm -81.24 112.94 37.4 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.363 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 2.9 Cg_exo -73.75 151.93 46.8 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.831 2.354 . . . . 0.0 112.082 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.2 t -161.88 155.15 20.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -151.96 163.35 30.08 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.602 -0.809 . . . . 0.0 111.969 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.3 m -113.77 -69.63 0.85 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.449 177.304 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HE2' ' HG3' ' A' ' 16' ' ' GLU . 59.0 ttp . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.764 0.316 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.44 -147.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.165 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.0 t70 -71.44 -173.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.129 0.49 . . . . 0.0 110.914 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -132.15 126.15 32.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.1 pt -89.35 144.73 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.092 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -115.05 119.56 36.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.822 0.344 . . . . 0.0 110.427 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.72 84.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.52 72.62 0.47 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.808 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.76 -36.78 2.65 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.488 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -90.28 120.42 31.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.86 0.362 . . . . 0.0 110.197 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.9 143.9 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.182 0.515 . . . . 0.0 111.618 -173.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' HE2' ' HB3' ' A' ' 25' ' ' ASP . 93.3 m-85 -128.0 140.45 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.266 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -86.67 128.64 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.897 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 3' ' ' ASP . 33.7 m -109.58 168.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.264 0.554 . . . . 0.0 111.798 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.442 ' HB3' ' CE1' ' A' ' 19' ' ' TYR . 11.1 t70 -98.71 179.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.856 176.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG3' ' HE2' ' A' ' 1' ' ' MET . 37.2 mt-10 -74.64 -18.56 60.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -168.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.608 ' HB2' ' CD1' ' A' ' 19' ' ' TYR . 32.7 mt-10 -78.99 -6.81 57.23 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.609 175.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.17 45.92 5.75 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.119 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.608 ' CD1' ' HB2' ' A' ' 17' ' ' GLU . 40.7 p90 -137.65 158.55 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.585 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 61.4 tp -67.46 125.37 25.94 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.793 0.33 . . . . 0.0 110.124 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 30.3 t -97.53 -15.84 20.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -176.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -126.11 110.2 13.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.713 0.292 . . . . 0.0 111.558 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD11 HD23 ' A' ' 105' ' ' LEU . 78.6 mt -84.22 76.51 10.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.459 0.647 . . . . 0.0 109.962 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -109.02 7.89 26.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.122 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.549 ' HB3' ' HE2' ' A' ' 12' ' ' PHE . 35.7 t70 179.91 -79.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.325 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.567 ' HE3' HH11 ' A' ' 54' ' ' ARG . 73.6 t90 60.22 104.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.726 0.81 . . . . 0.0 111.891 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 22.6 m -108.48 162.96 18.07 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.616 173.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 73.2 Cg_exo -49.97 -38.88 49.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.769 2.313 . . . . 0.0 112.633 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.03 -32.46 66.83 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.898 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.55 -46.9 94.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.513 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.56 91.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.716 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -66.48 -50.67 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.113 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 82.8 t -56.99 -48.25 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.74 0.305 . . . . 0.0 110.512 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.443 ' SD ' ' HA ' ' A' ' 102' ' ' PHE . 42.1 ttm -60.62 -49.43 77.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.63 67.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.164 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 36' ' ' LYS . 3.5 ttmp? -74.26 -26.0 59.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.857 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 26.0 mt-30 -64.4 -41.64 96.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.152 0.501 . . . . 0.0 110.144 174.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.44 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.887 174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.35 61.0 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.937 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.0 tp -116.71 129.08 55.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.969 174.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -75.13 130.29 38.98 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.143 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.86 100.51 11.45 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.578 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -88.18 177.07 6.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 175.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.497 ' H ' HG22 ' A' ' 43' ' ' THR . 10.3 pt-20 -57.77 -34.57 69.72 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' O ' HG12 ' A' ' 49' ' ' ILE . 41.6 mt-10 -76.23 -30.92 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.289 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -63.53 -49.35 73.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -57.25 -40.93 78.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.935 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -65.81 -41.79 91.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.0 mm -62.86 -49.13 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.435 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' ' 103' ' ' ALA . 77.9 mt -59.76 -45.67 94.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 121.353 0.597 . . . . 0.0 110.367 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.3 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.008 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE2' ' HB1' ' A' ' 72' ' ' ALA . 83.7 t80 -59.19 -37.92 78.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.878 -178.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.564 ' HB3' HD11 ' A' ' 105' ' ' LEU . 30.1 mt -62.28 -44.81 95.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.567 HH11 ' HE3' ' A' ' 26' ' ' TRP . 5.7 ptm180 -72.46 -22.03 61.14 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.532 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.09 -38.7 51.83 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.022 0.439 . . . . 0.0 110.408 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -66.15 -40.29 90.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -70.19 -36.58 74.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.275 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 7.0 tp10 -59.79 -36.01 75.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.242 0.544 . . . . 0.0 110.282 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.37 -55.66 3.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.54 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -100.04 -12.07 20.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 61.92 23.86 14.11 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.33 -171.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -114.83 134.93 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.118 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 108.63 59.66 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.92 128.27 17.5 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.258 1.972 . . . . 0.0 111.98 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.35 178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.34 -52.04 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -173.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 0.0 110.803 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.88 -38.52 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 110.062 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD13 HD21 ' A' ' 53' ' ' LEU . 54.8 tp -63.99 -30.72 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -56.53 -39.47 73.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 110.469 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -67.19 -45.74 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -63.34 -44.67 94.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.133 -177.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG11 HD21 ' A' ' 87' ' ' LEU . 96.6 t -65.98 -42.42 91.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 80' ' ' GLU . . . -58.55 -37.44 88.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.395 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.24 -40.94 50.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -70.82 -39.8 72.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.021 -174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.443 HD13 HG13 ' A' ' 73' ' ' VAL . 11.0 mp -86.37 -47.51 9.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.187 -178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.91 146.48 16.21 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 mttp 54.5 40.68 31.99 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.738 0.415 . . . . 0.0 110.798 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 29.9 tt0 68.8 -85.9 0.03 OUTLIER 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.694 0.622 . . . . 0.0 109.643 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 tptm 66.14 -61.69 0.28 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.815 0.846 . . . . 0.0 111.451 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.94 64.35 3.39 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.304 -0.474 . . . . 0.0 111.954 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -66.81 162.54 21.31 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 122.831 0.453 . . . . 0.0 110.539 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 88' ' ' TYR . 18.0 m -53.07 -41.64 65.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.931 177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -73.81 -34.29 64.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 31.6 t80 -67.27 -42.65 83.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.111 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 57.9 mt -75.33 -26.3 58.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.964 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 84' ' ' SER . 6.1 t80 -79.92 -23.03 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 110.62 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.9 p -83.63 -24.82 31.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 87' ' ' LEU . 86.4 mt -66.62 -55.17 16.55 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.592 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.0 m-85 -131.83 101.37 15.45 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.897 177.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 91' ' ' PHE . 3.2 Cg_exo -76.75 5.96 4.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.524 2.816 . . . . 0.0 114.048 -172.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -116.9 16.14 15.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.275 0.56 . . . . 0.0 110.538 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.83 95.45 1.97 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.592 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 66.7 Cg_exo -37.55 -62.01 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 124.357 3.371 . . . . 0.0 114.399 -173.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.748 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.503 ' HA ' ' SG ' ' A' ' 100' ' ' CYS . 13.5 tmtt? -71.32 -31.04 66.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.124 0.487 . . . . 0.0 110.857 -173.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.566 ' O ' ' HB3' ' A' ' 101' ' ' ARG . 51.2 tp60 -78.52 -39.08 39.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.443 0.639 . . . . 0.0 109.734 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.29 -39.67 71.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.023 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.765 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.0 p -68.24 -30.81 69.95 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.566 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 11.9 ttt180 -53.02 -52.97 56.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.181 171.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.443 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 24.3 m-85 -71.41 -29.59 65.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.388 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -78.1 -13.41 59.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.712 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.585 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 80.4 24.25 59.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.703 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.765 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 57.4 mt -81.62 141.01 47.99 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.84 134.66 55.5 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.587 2.191 . . . . 0.0 111.491 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -51.22 108.19 0.99 Allowed Pre-proline 0 N--CA 1.464 0.256 0 O-C-N 123.932 0.77 . . . . 0.0 111.345 -176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.19 83.55 1.01 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.012 2.475 . . . . 0.0 112.073 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.2 m 73.17 -55.6 0.67 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.258 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.49 -61.59 3.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.477 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 41.8 t -74.06 119.81 18.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.791 0.329 . . . . 0.0 110.319 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.083 -0.96 . . . . 0.0 111.059 -179.711 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 2.8 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.94 144.84 56.0 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -73.37 159.78 32.8 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-O 121.338 0.589 . . . . 0.0 111.106 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 13' ' ' ALA . 20.7 p -123.44 151.99 42.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.562 -178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.505 HG13 ' HB2' ' A' ' 12' ' ' PHE . 39.8 pt -111.71 133.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -95.98 112.17 23.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.02 0.438 . . . . 0.0 110.087 -177.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.447 HG22 HG21 ' A' ' 33' ' ' VAL . 45.5 t -129.47 122.67 56.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.381 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 69.98 8.15 6.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.089 0.556 . . . . 0.0 111.537 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.66 9.03 59.08 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.49 -174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 52.3 mttt -103.77 152.83 21.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -106.08 107.72 18.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.831 0.348 . . . . 0.0 110.135 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' HB2' HG13 ' A' ' 5' ' ' ILE . 93.9 m-85 -95.32 108.15 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -73.8 128.86 36.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.88 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.66 155.06 22.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.96 159.79 32.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.699 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.75 -21.84 66.13 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.592 0.234 . . . . 0.0 111.598 -176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.08 3.23 46.97 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.57 ' HA3' HH12 ' A' ' 101' ' ' ARG . . . 82.49 39.24 11.08 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.999 -0.619 . . . . 0.0 113.266 176.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -112.2 136.26 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.782 -0.246 . . . . 0.0 110.397 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 22' ' ' ASN . 62.5 tp -62.59 120.04 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 t -98.76 8.77 44.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.209 0.528 . . . . 0.0 110.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 49.6 t-20 -118.32 92.57 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.0 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -96.64 19.75 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -72.32 -25.76 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.24 -176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 31.1 t70 -152.67 -67.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.443 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 80.6 t90 69.92 123.08 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.544 0.688 . . . . 0.0 111.036 -173.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.34 157.26 47.67 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.553 175.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.82 -29.87 54.71 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.588 2.192 . . . . 0.0 112.14 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.68 -30.21 65.33 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.753 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.16 -42.5 96.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.24 85.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.268 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 21.4 t70 -61.56 -51.84 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.81 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.447 HG21 HG22 ' A' ' 7' ' ' VAL . 85.3 t -65.1 -35.16 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.5 tpp -65.5 -45.52 83.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.034 0.445 . . . . 0.0 110.054 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.42 -33.44 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.723 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 68.3 mttm -62.95 -29.22 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -71.53 -35.22 70.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.436 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -89.74 -10.95 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.123 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 62.16 26.22 15.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.473 0.654 . . . . 0.0 110.404 -176.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -107.98 108.61 19.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.68 134.1 46.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.077 0.465 . . . . 0.0 110.4 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.95 109.65 20.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.488 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -80.57 176.46 9.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.43 -34.27 70.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -75.15 -35.47 61.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.602 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -65.07 -48.68 72.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.281 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -60.72 -31.29 70.59 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.891 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.28 -42.81 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.741 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.08 -41.8 84.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.494 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 103' ' ' ALA . 86.5 mt -58.67 -44.76 90.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 0.0 109.647 175.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 4.9 t30 -58.89 -45.86 89.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.01 176.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.06 -46.14 82.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 69' ' ' LEU . 16.7 mt -64.55 -35.42 80.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.703 0.287 . . . . 0.0 111.191 178.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 7.9 mmm180 -68.35 -42.22 79.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.852 178.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.8 mt-10 -59.81 -43.55 94.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 109.91 176.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 14.6 t80 -65.59 -46.07 80.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.968 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -71.86 -39.33 69.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.809 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.589 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 1.8 tp10 -66.45 -24.05 66.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.947 0.403 . . . . 0.0 110.368 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -93.63 -60.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.261 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.45 -18.89 23.48 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 62.58 22.78 13.52 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.225 0.536 . . . . 0.0 110.78 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -120.97 135.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.078 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -91.52 115.43 64.47 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.217 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 12.8 Cg_exo -69.23 137.21 36.43 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.973 2.448 . . . . 0.0 112.662 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.473 ' HB1' ' HA3' ' A' ' 110' ' ' GLY . . . -74.66 170.84 15.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.22 -34.48 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.732 0.301 . . . . 0.0 111.455 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -72.98 -22.29 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.059 0.456 . . . . 0.0 110.929 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.78 -46.79 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 73' ' ' VAL . 57.7 tp -56.38 -56.39 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.199 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -53.95 -42.88 69.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.541 -177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.08 -29.77 58.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.05 -32.73 65.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.318 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 69' ' ' LEU . 93.7 t -58.28 -30.51 40.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.179 0.514 . . . . 0.0 110.473 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.584 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.5 -14.53 57.63 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 113.297 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -101.45 -15.04 17.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.318 0.559 . . . . 0.0 111.668 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -117.87 -30.6 5.35 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.761 -172.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.578 ' HG ' ' HD2' ' A' ' 81' ' ' LYS . 61.8 tp -118.56 -28.12 5.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -173.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.584 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 170.07 124.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.42 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -65.19 -36.8 85.31 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.651 0.38 . . . . 0.0 111.665 -174.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 12.9 mp0 -107.7 5.49 26.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.345 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.578 ' HD2' ' HG ' ' A' ' 77' ' ' LEU . 41.1 ttmt -88.58 -72.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.736 -171.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.42 ' HA2' ' HB3' ' A' ' 86' ' ' TYR . . . -86.85 46.76 3.61 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.925 -172.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 80' ' ' GLU . 91.8 m-20 -89.32 -24.21 22.07 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -177.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -165.41 -85.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.385 . . . . 0.0 112.001 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -53.48 -37.95 63.18 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.372 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.481 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 75.0 t80 -52.3 -55.88 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.704 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.479 HD11 HG21 ' A' ' 73' ' ' VAL . 52.0 mt -76.61 -31.19 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.68 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -73.4 -23.23 60.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 0.0 110.754 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -84.55 -28.84 26.36 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 57.2 mt -70.42 -48.1 57.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 176.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -127.61 96.28 33.24 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.347 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.11 -10.54 29.36 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.319 2.68 . . . . 0.0 112.983 -175.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -101.65 7.58 42.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.264 0.554 . . . . 0.0 110.196 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.456 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 110.97 117.7 3.77 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.484 -177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 8.9 Cg_endo -50.87 -57.13 2.44 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.412 2.741 . . . . 0.0 112.72 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.86 74.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.587 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.55 -58.14 4.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 -175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.47 -37.02 74.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.81 86.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.397 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.791 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.1 p -68.42 -32.59 72.73 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.478 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.57 HH12 ' HA3' ' A' ' 18' ' ' GLY . 42.5 ttt85 -56.31 -41.21 75.6 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -84.03 -36.54 23.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.987 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -74.25 -4.42 35.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.903 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.73 58.74 6.1 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.951 -0.643 . . . . 0.0 111.926 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.5 mt -124.69 154.78 70.3 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.97 149.75 89.86 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.232 1.955 . . . . 0.0 111.254 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -62.11 108.47 1.63 Allowed Pre-proline 0 N--CA 1.464 0.252 0 O-C-N 123.58 0.55 . . . . 0.0 111.388 -175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -91.14 -61.88 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 123.268 2.645 . . . . 0.0 112.543 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.2 m 70.08 -70.45 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.158 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.473 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . 66.51 23.82 72.16 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.244 -0.503 . . . . 0.0 112.907 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 57.2 m -104.94 84.21 2.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.094 0.473 . . . . 0.0 110.205 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.42 179.468 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtm . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.398 0.142 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.01 144.82 0.07 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.847 0.717 . . . . 0.0 111.049 -174.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -141.26 -163.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.144 -173.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.551 HG22 ' HA ' ' A' ' 13' ' ' ALA . 37.2 p -133.67 140.46 47.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.684 0.278 . . . . 0.0 110.803 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.8 pt -91.41 126.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -98.4 102.34 14.06 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.965 0.412 . . . . 0.0 110.756 -176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.423 HG22 HG21 ' A' ' 33' ' ' VAL . 24.7 t -91.43 87.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.8 t70 69.0 -69.67 0.15 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.821 0.701 . . . . 0.0 111.358 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.59 16.01 2.24 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.725 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.35 105.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 18.2 mt-30 -92.8 106.68 18.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.002 0.43 . . . . 0.0 110.728 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -95.25 130.96 41.8 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.415 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -64.42 131.83 48.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.72 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.64 152.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.357 0.599 . . . . 0.0 111.624 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.2 158.82 34.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.416 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -71.01 -17.05 62.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.806 0.336 . . . . 0.0 111.043 -174.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.97 -14.03 56.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.924 0.392 . . . . 0.0 110.738 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.75 53.7 1.28 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.764 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -137.78 137.25 38.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.0 tp -57.1 108.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.94 0.4 . . . . 0.0 111.264 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -109.41 72.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.62 0.724 . . . . 0.0 109.316 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -167.94 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.273 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt 55.69 -118.03 1.2 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.711 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.1 t30 65.06 -74.61 0.05 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.844 0.715 . . . . 0.0 111.991 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -117.61 -63.61 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.431 ' CE3' ' HD2' ' A' ' 54' ' ' ARG . 88.7 t90 69.97 113.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.872 0.733 . . . . 0.0 110.786 -174.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.94 153.78 37.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.719 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.98 -33.11 60.92 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.663 2.242 . . . . 0.0 112.378 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.92 -27.33 59.36 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.037 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.25 -41.22 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.398 . . . . 0.0 109.978 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.75 77.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.268 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -59.01 -53.03 62.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.423 HG21 HG22 ' A' ' 7' ' ' VAL . 91.4 t -64.25 -41.2 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.403 ' HB3' ' HD1' ' A' ' 102' ' ' PHE . 32.4 tpp -59.71 -46.91 87.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.168 0.509 . . . . 0.0 110.075 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -66.25 -35.02 79.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.112 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -58.36 -41.59 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.129 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 22.0 mt-30 -66.02 -46.75 76.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.654 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 1.2 m-20 -76.66 -14.42 59.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.18 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER 68.69 22.54 7.42 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.449 0.468 . . . . 0.0 110.907 179.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 9.0 tt -106.07 114.65 28.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.851 -177.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -69.13 125.36 26.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.385 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.52 112.92 24.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.27 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.4 p -95.03 -175.49 3.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.97 -33.49 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.265 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.23 -52.47 63.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.295 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.462 ' O ' HG13 ' A' ' 50' ' ' ILE . 64.7 m80 -64.28 -48.68 74.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.794 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -58.63 -36.08 73.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.755 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.91 -41.9 86.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.725 0.298 . . . . 0.0 110.614 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.88 -40.38 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.542 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.8 mt -59.84 -48.89 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.22 176.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -62.37 -40.82 97.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.287 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 66.3 t80 -58.99 -48.71 80.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.52 -34.15 77.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.038 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HD2' ' CE3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -56.51 -55.74 29.99 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 174.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -58.56 -47.68 83.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.425 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . 41.2 t80 -60.17 -45.98 91.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.19 -176.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -76.63 -37.37 56.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.326 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -79.04 -13.83 59.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 111.021 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -109.95 -48.12 3.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.425 ' HD2' ' HA ' ' A' ' 56' ' ' TYR . 93.4 m-85 -91.2 -16.18 28.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 -175.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 64.3 26.78 13.74 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 122.776 0.43 . . . . 0.0 111.452 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.0 mt -123.56 140.89 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.534 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.13 112.05 65.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -84.56 142.38 9.27 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.52 2.147 . . . . 0.0 113.499 -173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.44 -178.97 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.336 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.46 -38.51 75.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.955 0.407 . . . . 0.0 110.237 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -53.36 -35.5 60.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.685 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.5 t -93.71 -45.11 13.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -56.64 -41.56 77.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.526 -177.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.8 m -56.78 -41.14 77.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.839 0.352 . . . . 0.0 111.876 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.12 -26.18 31.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 111.075 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.595 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -69.67 -42.0 74.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.286 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.716 HG13 HD23 ' A' ' 77' ' ' LEU . 75.7 t -60.53 -25.09 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.706 176.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.01 -22.05 64.35 Favored Glycine 0 CA--C 1.521 0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.832 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -87.61 -22.97 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.207 0.527 . . . . 0.0 110.181 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -88.82 -61.16 1.77 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.716 HD23 HG13 ' A' ' 73' ' ' VAL . 4.3 mm? -83.45 -21.49 32.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -175.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.15 -176.62 17.58 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.542 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -85.47 9.66 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.303 . . . . 0.0 111.294 -175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.701 ' HG3' ' HD2' ' A' ' 81' ' ' LYS . 9.1 pt-20 -120.34 5.78 10.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 111.338 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.701 ' HD2' ' HG3' ' A' ' 80' ' ' GLU . 8.8 mptt -129.97 161.96 29.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.892 0.377 . . . . 0.0 110.591 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.17 4.16 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m120 65.84 -73.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.235 0.614 . . . . 0.0 111.658 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.6 t -178.28 -56.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -58.77 -37.73 76.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.015 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.1 t80 -64.62 -32.95 74.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.668 0.27 . . . . 0.0 110.761 -176.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 49.2 mt -84.36 -32.1 24.41 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.241 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -76.64 -9.33 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.248 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.6 p -99.69 -32.45 11.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.204 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 40.5 mt -63.21 -51.28 66.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.007 0.432 . . . . 0.0 110.052 172.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 72.6 m-85 -122.46 90.18 49.45 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.632 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.1 0.3 6.86 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.874 2.382 . . . . 0.0 112.651 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.403 ' HB3' ' CG ' ' A' ' 98' ' ' GLN . 4.5 t80 -110.76 10.1 22.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.335 0.588 . . . . 0.0 109.96 -178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 119.3 105.18 2.14 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.768 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.559 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 83.1 Cg_exo -46.79 -66.87 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.632 2.888 . . . . 0.0 113.72 -174.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.56 80.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.659 -175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -68.94 -39.03 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.153 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' CG ' ' HB3' ' A' ' 93' ' ' TYR . 12.5 mm100 -77.33 -38.69 49.91 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.673 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.505 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.958 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.6 p -69.93 -28.19 65.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.1 ttt85 -62.82 -39.41 94.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.69 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.403 ' HD1' ' HB3' ' A' ' 34' ' ' MET . 25.2 m-85 -84.17 -31.6 25.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.806 179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.03 36.81 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.999 -177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.69 44.11 13.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.602 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.958 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 58.8 mt -117.16 134.37 23.05 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -82.05 48.35 2.79 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.879 2.386 . . . . 0.0 113.338 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 9.8 mtpm? 70.54 127.53 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 123.681 0.613 . . . . 0.0 112.365 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 10.8 Cg_exo -72.21 66.19 3.48 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.119 2.546 . . . . 0.0 111.455 174.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 m -94.62 154.89 17.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.406 -176.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.62 -40.38 1.64 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.546 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.9 m -95.3 18.51 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.993 0.425 . . . . 0.0 110.827 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.101 178.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.588 0.232 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.74 145.55 27.86 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.93 -176.31 2.91 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 11' ' ' GLN . 2.8 p -134.64 120.19 19.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.815 0.34 . . . . 0.0 110.835 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.4 pt -89.91 136.35 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.65 106.71 19.03 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.221 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.7 t -118.43 118.51 58.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.6 t70 67.4 -74.93 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.662 0.601 . . . . 0.0 111.02 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.67 16.1 0.32 Allowed Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -116.05 143.61 45.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.485 ' HB3' ' HB ' ' A' ' 4' ' ' THR . 88.0 mt-30 -107.46 105.4 15.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.171 0.51 . . . . 0.0 109.751 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -91.18 123.67 34.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.472 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.21 127.81 33.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.97 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -124.99 158.32 32.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.325 0.583 . . . . 0.0 111.948 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.02 151.1 48.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.409 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -64.53 -17.4 63.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -95.97 -18.27 20.38 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.365 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.659 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 114.76 65.61 0.42 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.91 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -138.3 152.35 48.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 176.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HG ' ' H ' ' A' ' 22' ' ' ASN . 25.5 tp -84.29 121.16 27.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.032 0.444 . . . . 0.0 110.463 -176.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 m -92.29 11.17 26.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.186 0.517 . . . . 0.0 110.654 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' H ' ' HG ' ' A' ' 20' ' ' LEU . 25.7 t-20 -134.32 90.41 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.954 178.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.3 mt -88.06 13.75 10.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.878 0.371 . . . . 0.0 111.263 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.97 -46.26 30.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.345 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -99.01 -90.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.407 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.433 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 85.1 t90 62.54 102.95 0.03 OUTLIER 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.524 0.73 . . . . 0.0 111.615 -175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.7 m -108.71 159.77 29.72 Favored Pre-proline 0 C--N 1.317 -0.82 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 170.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.54 -34.06 32.67 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.65 2.233 . . . . 0.0 112.858 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.58 58.47 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.122 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG11 HD22 ' A' ' 20' ' ' LEU . 89.8 t -65.57 -42.96 94.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.39 76.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.714 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -56.32 -57.14 13.53 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.175 0.512 . . . . 0.0 110.324 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.02 -37.25 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.825 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.9 tpp -66.96 -49.22 66.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . . . -64.85 -32.59 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -59.73 -35.63 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.715 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' OE1' ' HA ' ' A' ' 37' ' ' GLN . 14.5 mm-40 -66.81 -42.08 86.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.989 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.73 -4.68 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.958 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER 63.66 27.8 14.89 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.917 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.0 tp -99.23 139.5 34.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.284 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -82.31 130.33 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.169 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.5 mt -99.72 94.06 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.594 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.21 -171.79 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -50.1 -53.12 29.43 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.989 0.423 . . . . 0.0 111.506 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 49' ' ' ILE . 27.2 mt-10 -68.76 -41.1 79.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.223 -175.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.473 ' O ' HG12 ' A' ' 50' ' ' ILE . 78.1 m80 -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.352 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -63.16 -40.64 98.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.874 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.502 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 37.2 t70 -73.17 -25.22 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.249 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -68.12 -44.96 84.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 102' ' ' PHE . 44.0 mm -62.78 -44.7 99.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.552 175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 31.9 t30 -55.12 -47.09 75.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.627 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' CZ ' ' HB1' ' A' ' 72' ' ' ALA . 73.9 t80 -60.86 -43.73 97.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.551 -177.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD21 HD13 ' A' ' 69' ' ' LEU . 32.7 mt -61.62 -38.89 89.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 110.395 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 17.6 tpt180 -60.71 -49.16 78.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.362 175.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 49.0 mt-10 -61.46 -48.4 81.32 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.11 0.481 . . . . 0.0 110.781 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.65 -41.8 98.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.952 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 61.4 t80 -69.75 -38.78 76.92 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.548 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.01 -42.28 85.23 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 122.099 -0.375 . . . . 0.0 111.646 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -84.64 -46.75 11.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -92.89 -16.6 25.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.577 -174.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 12.6 tp60 63.17 23.97 14.16 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.088 0.47 . . . . 0.0 111.217 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 tt -139.46 144.89 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 122.26 -0.275 . . . . 0.0 110.646 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -95.34 125.69 48.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 175.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.18 149.04 35.43 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.457 2.105 . . . . 0.0 113.019 -176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.78 178.2 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.446 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -60.13 -43.85 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -81.54 -31.11 32.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.863 0.363 . . . . 0.0 110.279 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.1 t -65.65 -39.31 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.23 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 HD21 ' A' ' 53' ' ' LEU . 63.2 tp -61.12 -50.26 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.127 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 m -56.13 -42.77 77.42 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.994 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.68 -47.01 77.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.045 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -72.16 -39.6 68.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.672 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 69' ' ' LEU . 97.5 t -63.29 -30.81 50.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -72.29 8.44 6.83 Favored Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.943 178.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -132.97 -45.64 0.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.666 0.27 . . . . 0.0 110.344 174.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG3' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -63.3 -44.93 93.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.862 0.363 . . . . 0.0 110.429 179.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 81' ' ' LYS . 24.1 tp -98.11 -38.66 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.022 0.439 . . . . 0.0 110.357 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 155.65 152.71 6.3 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.218 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -65.18 -41.53 94.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.017 0.437 . . . . 0.0 111.101 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -87.93 -29.18 21.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.522 0.677 . . . . 0.0 109.761 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.404 ' HG2' ' HG ' ' A' ' 77' ' ' LEU . 38.4 tptt -72.78 -41.81 64.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.707 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.42 60.18 4.56 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.293 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -90.43 151.08 21.56 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.531 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 24.9 m -57.9 -50.47 73.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.291 -177.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -58.27 -36.29 73.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.007 0.432 . . . . 0.0 110.517 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -63.25 -43.8 96.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.353 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 95' ' ' PRO . 4.1 mm? -62.2 -40.85 97.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.243 177.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.531 ' HD1' ' O ' ' A' ' 84' ' ' SER . 63.9 m-85 -73.73 -17.79 61.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 111.26 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.9 m -83.52 -30.74 26.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.491 . . . . 0.0 109.729 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.61 -50.97 18.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.791 174.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 60.9 m-85 -120.36 96.71 49.09 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.84 -25.09 39.53 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.201 2.601 . . . . 0.0 113.288 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -93.73 14.37 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.06 0.457 . . . . 0.0 110.864 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.06 116.58 3.38 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.756 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 72.3 Cg_exo -49.76 -56.03 3.54 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.352 2.701 . . . . 0.0 112.776 -177.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.92 80.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.416 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.2 -54.13 50.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.566 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.8 mm-40 -63.58 -47.53 81.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.031 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.31 84.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.848 -175.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.49 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -62.68 -35.85 81.01 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.41 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' A' ' 18' ' ' GLY . 39.2 ttm180 -58.62 -44.65 90.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.967 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.492 ' HB2' HD12 ' A' ' 50' ' ' ILE . 13.5 m-85 -79.65 -31.94 41.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.376 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.09 -10.09 59.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.57 12.35 67.11 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.61 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 88.3 mt -86.21 142.33 35.72 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.41 -179.96 3.6 Favored 'Trans proline' 0 CA--C 1.527 0.161 0 C-N-CA 122.446 2.098 . . . . 0.0 111.572 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -50.41 107.16 0.74 Allowed Pre-proline 0 CA--C 1.534 0.357 0 O-C-N 123.521 0.513 . . . . 0.0 111.403 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.519 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 14.4 Cg_endo -90.46 -29.36 0.18 Allowed 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.252 2.635 . . . . 0.0 112.946 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.6 p -78.68 83.92 4.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.262 0.554 . . . . 0.0 110.813 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.79 -109.99 0.3 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.437 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.2 p -140.43 108.32 5.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.898 0.38 . . . . 0.0 110.442 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.947 179.176 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.87 0.367 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.57 -73.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.784 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -142.7 172.26 12.93 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.5 p -138.47 157.49 46.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.846 0.355 . . . . 0.0 111.765 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 pt -126.49 143.58 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.09 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -91.81 104.14 16.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.923 0.392 . . . . 0.0 110.355 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.03 85.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.601 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 t70 55.85 81.13 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.807 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.13 19.5 59.37 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.528 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -145.32 139.29 26.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.11 116.19 30.71 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.046 0.451 . . . . 0.0 110.252 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -98.21 126.7 43.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.393 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 22' ' ' ASN . . . -70.15 118.15 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.032 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.02 157.24 5.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.15 162.97 18.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.78 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.97 -22.85 67.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.684 0.278 . . . . 0.0 111.055 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -74.15 -11.48 60.31 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.026 0.441 . . . . 0.0 110.686 175.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.96 17.24 54.46 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.503 ' HD2' ' O ' ' A' ' 105' ' ' LEU . 14.2 m-85 -93.25 -175.55 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 122.729 0.412 . . . . 0.0 110.227 177.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -96.93 108.91 21.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -83.41 -27.79 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.076 0.465 . . . . 0.0 110.344 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 18.1 t-20 -85.83 78.58 9.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.362 0.601 . . . . 0.0 109.995 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.71 114.35 9.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.42 -60.21 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.552 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 36.0 t70 -141.92 -49.66 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.528 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.494 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 77.3 t90 74.03 133.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.867 0.729 . . . . 0.0 111.647 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 30' ' ' VAL . 23.4 m -118.25 150.17 47.16 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.737 175.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -56.39 -28.81 74.55 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.692 2.261 . . . . 0.0 112.593 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.31 64.81 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.838 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 HG22 ' A' ' 27' ' ' VAL . 84.4 t -63.34 -46.76 94.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.82 94.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.446 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.07 -56.49 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.492 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -69.15 -26.52 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.942 0.401 . . . . 0.0 110.956 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.574 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 50.6 ttm -75.37 -48.49 22.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.726 0.298 . . . . 0.0 110.43 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.94 63.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.39 -43.76 96.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.111 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -70.89 -36.16 72.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -9.93 59.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.537 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 54.16 45.14 28.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.825 0.821 . . . . 0.0 110.236 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -113.36 110.27 20.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.403 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.64 109.44 3.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.784 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.6 mt -80.17 103.5 10.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.499 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.9 p -87.97 -178.88 6.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.515 175.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.76 -43.19 80.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 49' ' ' ILE . 1.7 mp0 -57.85 -44.33 86.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.686 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.407 ' O ' HG13 ' A' ' 50' ' ' ILE . 56.8 m80 -64.77 -49.16 71.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.674 178.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -60.63 -36.74 79.38 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.348 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.23 -41.5 89.98 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.221 -0.191 . . . . 0.0 110.517 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.7 mm -63.07 -43.43 98.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.007 0.432 . . . . 0.0 110.107 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 46' ' ' HIS . 89.2 mt -60.03 -50.6 79.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.366 176.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -60.4 -47.21 87.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.084 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.65 -37.9 85.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD21 ' HD2' ' A' ' 64' ' ' PRO . 1.2 tt -71.25 -40.8 70.8 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -61.65 -42.73 99.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.967 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.12 -42.5 80.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.665 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -57.19 -42.56 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.101 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -66.08 -45.94 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.839 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -62.76 -35.72 80.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 111.077 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -84.61 -61.5 1.78 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.775 -175.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.0 -8.13 52.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 64.82 21.74 12.41 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.059 0.457 . . . . 0.0 111.32 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -122.05 141.11 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.227 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.81 104.46 9.35 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.434 ' HD2' HD21 ' A' ' 53' ' ' LEU . 45.0 Cg_endo -69.61 122.9 9.62 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.698 2.265 . . . . 0.0 113.012 -174.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 174.93 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.725 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.68 -46.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -65.07 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.249 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.4 t -75.16 -49.9 26.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 73' ' ' VAL . 58.2 tp -59.03 -48.6 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.038 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.0 m -61.91 -33.99 75.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 111.207 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -73.93 -30.95 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.989 0.423 . . . . 0.0 110.284 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.16 60.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.179 0.514 . . . . 0.0 110.605 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.512 HG21 HD21 ' A' ' 87' ' ' LEU . 77.4 t -61.56 -27.13 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.122 174.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -70.93 -3.36 51.02 Favored Glycine 0 CA--C 1.521 0.415 0 CA-C-N 115.564 -0.743 . . . . 0.0 113.02 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -103.86 -53.27 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.697 0.284 . . . . 0.0 110.553 176.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.63 -42.7 16.4 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 73' ' ' VAL . 3.7 mm? -88.4 -45.33 10.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.188 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.52 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 158.14 166.64 17.76 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.045 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -73.5 -32.05 64.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 0.0 110.879 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -31.3 21.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.393 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.79 -37.47 64.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.638 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.61 60.75 4.65 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.699 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -129.44 -73.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.899 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' HD1' ' A' ' 88' ' ' TYR . 66.4 m -163.46 -59.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 -177.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -48.53 -49.98 33.94 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.107 -174.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.469 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 63.6 t80 -58.05 -48.67 79.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.648 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 73' ' ' VAL . 4.2 mm? -69.35 -38.0 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.7 -176.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.485 ' HD1' ' O ' ' A' ' 84' ' ' SER . 66.9 m-85 -76.83 -21.8 54.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.344 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.9 p -82.26 -21.66 36.15 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.514 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 86.0 mt -82.29 -52.55 6.82 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.938 0.399 . . . . 0.0 110.328 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.549 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 65.6 m-85 -125.52 90.58 50.37 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.244 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.51 -18.48 38.14 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.907 2.404 . . . . 0.0 112.401 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -91.09 5.7 47.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.186 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.51 105.61 1.33 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.865 -0.684 . . . . 0.0 111.823 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.549 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 82.2 Cg_exo -46.57 -66.25 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.657 2.905 . . . . 0.0 113.205 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.76 69.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.416 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 97' ' ' LYS . 3.3 mmmp? -59.5 -49.93 75.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.336 -176.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.66 -41.34 72.24 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.081 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.58 -50.78 72.56 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.435 ' HB2' HD12 ' A' ' 105' ' ' LEU . 25.5 p -70.22 -29.7 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.038 0.447 . . . . 0.0 110.639 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.574 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 45.7 ttt180 -61.73 -46.96 87.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.443 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -74.47 -23.03 58.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.19 -7.34 55.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 26' ' ' TRP . . . 80.08 33.31 33.17 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.578 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' O ' ' HD2' ' A' ' 19' ' ' TYR . 72.6 mt -102.23 163.33 17.92 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 173.87 11.0 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.207 1.938 . . . . 0.0 111.287 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -79.04 116.21 58.35 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-O 121.336 0.588 . . . . 0.0 111.096 -174.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 6.2 Cg_exo -79.74 115.34 3.33 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.002 2.468 . . . . 0.0 111.105 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.5 m -105.78 105.5 15.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.672 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -161.32 -94.5 0.1 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.006 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 26.2 m -81.55 91.74 6.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.014 0.435 . . . . 0.0 110.923 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.163 178.004 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.49 35.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.73 157.87 36.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.776 0.798 . . . . 0.0 112.468 -167.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 13' ' ' ALA . 75.0 p -119.77 147.06 45.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.844 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' CG1' ' HB2' ' A' ' 12' ' ' PHE . 31.2 pt -88.87 125.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -95.82 107.01 19.22 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.491 -173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.19 107.7 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.616 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.8 t70 71.66 -1.45 2.8 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.743 0.652 . . . . 0.0 111.137 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -18.17 8.3 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -85.51 138.21 32.37 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -104.78 113.96 27.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.096 0.474 . . . . 0.0 111.527 -173.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' ' CG1' ' A' ' 5' ' ' ILE . 93.4 m-85 -94.36 121.37 35.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.993 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.546 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -64.17 121.23 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.468 -178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 20' ' ' LEU . 28.1 m -128.68 155.88 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.953 176.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -93.61 -175.35 3.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 120.713 0.292 . . . . 0.0 110.842 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -65.3 -27.46 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.45 0.67 55.19 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.735 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.31 13.76 65.21 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.583 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -82.52 133.33 35.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.32 0.56 . . . . 0.0 110.426 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HA ' HG12 ' A' ' 14' ' ' VAL . 31.7 tp -70.24 114.46 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.246 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -75.55 -22.19 57.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.325 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -98.54 88.41 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 111.357 -175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.09 84.05 7.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.231 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -178.65 -48.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.128 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.09 11.67 24.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.838 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -51.44 133.14 29.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.818 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.28 161.47 61.68 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.332 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -53.06 -36.6 76.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.653 2.235 . . . . 0.0 112.778 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.47 -27.33 63.27 Favored Glycine 0 C--N 1.332 0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.9 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.436 HG13 HD11 ' A' ' 5' ' ' ILE . 75.1 t -59.31 -49.77 82.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.34 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.67 79.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.943 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.21 -57.46 12.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.191 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 60.2 t -63.05 -38.32 81.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.765 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.404 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 42.0 ttm -64.72 -41.01 96.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.9 -33.63 76.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.019 0.438 . . . . 0.0 110.305 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.85 -33.86 76.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.117 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 27.9 mt-30 -74.09 -36.62 64.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.19 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -86.44 -11.21 52.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.874 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t30 65.92 76.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.806 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.1 tp -150.95 142.44 23.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.963 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -94.04 143.21 26.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -112.68 101.36 9.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.068 0.461 . . . . 0.0 110.989 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -91.76 -175.21 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.833 176.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.12 -43.32 95.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.687 0.279 . . . . 0.0 110.683 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 49' ' ' ILE . 1.9 pm0 -65.85 -36.33 83.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -63.53 -50.01 71.23 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.6 m95 -62.13 -40.8 97.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.269 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.59 -35.57 81.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.715 -0.221 . . . . 0.0 111.313 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 45' ' ' GLU . 72.1 mt -66.83 -45.48 87.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.923 0.392 . . . . 0.0 110.377 176.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.2 mt -62.08 -43.1 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.467 . . . . 0.0 109.927 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -60.73 -40.91 94.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.568 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.607 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 61.9 t80 -61.72 -41.57 97.81 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.424 HD21 HD13 ' A' ' 69' ' ' LEU . 90.2 mt -70.31 -39.46 74.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 54' ' ' ARG . 30.3 tpt85 -56.59 -47.19 80.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.224 174.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.63 -53.04 31.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.125 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -59.67 -41.68 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.879 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.473 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 75.3 t80 -70.31 -40.14 74.4 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.05 -178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.74 -37.47 70.56 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.603 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -79.14 -65.32 1.01 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.13 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -78.66 -16.79 56.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.702 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 24.9 mm-40 64.29 26.22 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.789 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.8 tt -143.66 143.7 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.102 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -99.66 128.78 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.322 178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.515 ' HD3' ' HA ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -82.22 140.23 10.94 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.234 2.623 . . . . 0.0 113.046 -177.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.95 179.74 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.218 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.64 -40.63 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.601 0.238 . . . . 0.0 111.525 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 67' ' ' ARG . 25.7 ttt85 -70.51 -36.04 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.08 0.467 . . . . 0.0 110.723 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.1 t -75.5 -40.69 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.938 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 73' ' ' VAL . 56.0 tp -61.86 -52.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.9 m -55.81 -36.4 67.4 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.262 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 31.7 ttpt -55.7 -47.96 75.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.601 176.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.36 -38.98 55.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.979 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.504 HG11 HD21 ' A' ' 87' ' ' LEU . 73.2 t -55.49 -42.42 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.491 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -59.34 -42.7 97.53 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.891 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -80.12 -34.92 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 111.0 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.607 ' HE2' ' HB2' ' A' ' 52' ' ' PHE . 46.3 tttp -72.3 -45.72 58.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.92 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD13 HG13 ' A' ' 73' ' ' VAL . 11.0 mp -80.43 -33.27 37.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.29 -97.08 0.16 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.8 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -139.09 -73.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 111.811 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -80.92 -7.21 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.227 0.537 . . . . 0.0 111.557 -169.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.23 -6.06 55.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.302 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.491 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -120.77 81.76 0.34 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.735 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -142.95 -66.62 0.38 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.4 p -174.79 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.487 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -49.19 -59.74 3.4 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.068 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -55.92 -40.52 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.698 -176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.504 HD21 HG11 ' A' ' 73' ' ' VAL . 29.1 mt -75.68 -33.27 60.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -175.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -79.95 -11.05 59.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.92 0.391 . . . . 0.0 110.811 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 t -85.66 -27.76 25.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.53 -55.29 5.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.912 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 94.6 m-85 -118.32 105.26 46.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.723 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.11 -8.81 20.27 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 122.717 2.278 . . . . 0.0 113.63 -174.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -101.19 -59.95 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.303 0.573 . . . . 0.0 109.831 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.8 110.77 0.42 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.973 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 6.6 Cg_endo -49.32 -54.55 5.27 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.314 2.676 . . . . 0.0 112.783 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.01 67.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.17 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -67.63 -42.29 82.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.601 -173.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' A' ' 91' ' ' PHE . 50.7 mt-30 -70.49 -42.91 70.75 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.68 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.97 81.65 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.6 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.788 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -63.47 -37.27 86.65 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 38.4 ttp180 -55.71 -45.63 77.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.769 176.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -63.01 -31.11 72.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 111.091 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.42 -13.4 52.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.459 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.51 ' CA ' ' HB3' ' A' ' 20' ' ' LEU . . . 95.61 6.88 59.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.422 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.4 mt -85.73 121.74 73.2 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 122.763 -0.257 . . . . 0.0 110.572 -177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 105' ' ' LEU . 19.2 Cg_endo -60.26 159.07 28.04 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.545 2.163 . . . . 0.0 110.9 173.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HD3' ' H ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -50.67 109.07 1.18 Allowed Pre-proline 0 CA--C 1.533 0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 111.578 -175.125 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -91.71 14.45 1.83 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 123.157 2.572 . . . . 0.0 112.408 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.8 p -73.48 -31.58 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.5 -177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.32 52.95 49.55 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.43 118.88 9.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 111.21 -175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.594 -0.717 . . . . 0.0 109.369 176.794 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.536 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 44.8 ttp . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.499 ' N ' ' HG2' ' A' ' 1' ' ' MET . . . -152.19 172.35 16.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.42 -169.41 2.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.552 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 13.7 p -138.32 137.3 37.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.935 0.398 . . . . 0.0 111.776 -175.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' GLN . 32.5 pt -105.08 137.2 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.166 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 5.1 tm-20 -88.39 109.39 19.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.059 0.457 . . . . 0.0 110.221 -177.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 33' ' ' VAL . 58.2 t -129.65 114.43 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.366 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 58.49 30.34 19.59 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.892 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.79 -11.38 71.17 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.547 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 68.2 mttm -95.76 168.69 10.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.686 0.279 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.552 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 15.8 pt20 -128.92 105.95 8.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.448 0.642 . . . . 0.0 110.151 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 97.7 m-85 -91.8 134.4 34.78 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.163 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 126.14 30.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.249 0.547 . . . . 0.0 111.483 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.15 144.2 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.564 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.64 157.7 33.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.737 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 1' ' ' MET . 35.2 mt-10 -54.06 -30.46 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.397 -179.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.38 -1.18 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.58 -178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.66 28.97 Favored Glycine 0 C--N 1.329 0.184 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.86 173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 107' ' ' LYS . 92.5 m-85 -113.83 151.07 32.62 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.8 120.01 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.805 0.336 . . . . 0.0 110.657 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.5 p -91.05 -18.2 24.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -106.18 95.8 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.937 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.524 HD21 ' O ' ' A' ' 104' ' ' GLY . 85.9 mt -94.84 -156.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.271 -175.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' HB3' ' A' ' 23' ' ' LEU . 64.0 t30 78.16 -37.14 0.22 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.699 0.799 . . . . 0.0 111.218 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.39 -88.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.749 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.63 ' HE3' HH11 ' A' ' 54' ' ' ARG . 87.1 t90 63.25 125.66 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.62 0.768 . . . . 0.0 111.87 -178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -122.98 153.07 63.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.171 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -53.34 -28.37 43.09 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.105 2.537 . . . . 0.0 112.804 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.25 -29.04 67.83 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.35 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.44 -44.3 86.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.745 0.307 . . . . 0.0 110.461 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.12 89.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.427 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -51.67 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.815 177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 7' ' ' VAL . 99.7 t -63.12 -42.84 98.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.684 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.9 tpp -58.54 -54.02 51.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.854 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.76 -46.65 78.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.502 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -55.93 -42.07 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.91 -36.89 80.96 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.5 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.16 3.45 53.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.605 0.24 . . . . 0.0 111.434 -174.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.0 m120 66.9 53.8 0.82 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.296 0.57 . . . . 0.0 111.052 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD23 ' CZ ' ' A' ' 102' ' ' PHE . 21.9 tp -140.56 145.03 36.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.143 175.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -108.84 145.39 35.35 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -111.5 115.61 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.161 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.499 ' HB ' ' OE1' ' A' ' 44' ' ' GLU . 41.6 p -95.8 -174.95 3.28 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 172.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 1.7 pm0 -60.14 -31.49 70.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.205 0.526 . . . . 0.0 110.06 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 49' ' ' ILE . 37.9 mt-10 -60.9 -51.35 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.908 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 50' ' ' ILE . 52.3 m80 -64.52 -46.93 80.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.855 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -58.82 -38.83 79.53 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.654 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.7 -40.95 92.8 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.56 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.1 mm -65.38 -43.06 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.771 0.32 . . . . 0.0 110.471 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 46' ' ' HIS . 81.5 mt -60.5 -48.17 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.22 0.533 . . . . 0.0 110.04 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.52 -40.63 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.014 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 81.1 t80 -60.92 -39.34 89.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.726 HD21 HD13 ' A' ' 69' ' ' LEU . 38.3 mt -73.83 -33.0 63.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.006 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.63 HH11 ' HE3' ' A' ' 26' ' ' TRP . 20.2 ttt85 -61.22 -50.68 72.12 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.165 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.73 -34.26 75.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.584 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 52' ' ' PHE . 17.5 t80 -65.55 -40.75 93.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.088 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -75.72 -37.06 59.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.7 -42.3 88.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.08 -59.91 1.86 Allowed 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -81.36 -23.67 37.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.531 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 64.93 21.74 12.37 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.7 mt -117.97 139.92 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.68 -176.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . . . -98.14 108.59 47.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 173.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.411 ' HG3' ' CE1' ' A' ' 56' ' ' TYR . 10.9 Cg_exo -70.28 134.95 28.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.912 2.408 . . . . 0.0 113.072 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.33 -178.48 5.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.98 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.82 -40.89 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.928 -176.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.08 -38.78 89.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.1 t -78.82 -48.74 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.373 -174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD13 HD21 ' A' ' 53' ' ' LEU . 64.9 tp -57.02 -52.54 64.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.446 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -55.01 -47.46 74.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.484 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.07 -37.54 87.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.028 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.26 -32.81 69.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.795 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 69' ' ' LEU . 90.7 t -61.27 -43.1 95.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 110.684 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.15 12.12 7.34 Favored Glycine 0 CA--C 1.52 0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.974 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -105.56 -34.28 7.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.077 0.465 . . . . 0.0 110.225 176.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -96.73 -49.95 4.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.277 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 81' ' ' LYS . 37.1 tp -70.61 -58.69 3.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.536 -169.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.87 158.53 31.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.417 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -62.38 -28.88 70.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -126.15 22.87 7.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.762 0.791 . . . . 0.0 110.075 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.437 ' HB3' HD23 ' A' ' 77' ' ' LEU . 48.0 mttm -112.92 84.55 2.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.076 174.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 37.91 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.48 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.48 -176.11 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.511 ' O ' ' HD2' ' A' ' 88' ' ' TYR . 10.2 m -54.48 -66.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -64.75 -24.97 67.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.102 -173.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 21.2 t80 -56.2 -51.92 66.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.204 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 95' ' ' PRO . 3.5 mm? -74.29 -35.01 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.306 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.511 ' HD2' ' O ' ' A' ' 84' ' ' SER . 49.6 m-85 -69.38 -27.33 65.22 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.674 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 75.6 m -82.62 -27.03 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.61 0.243 . . . . 0.0 110.937 175.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 85.7 mt -67.11 -56.47 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.002 0.43 . . . . 0.0 110.011 175.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 90.2 m-85 -123.78 105.63 32.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.517 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.25 -43.57 22.91 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.982 2.455 . . . . 0.0 113.042 -176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.549 ' HB3' HE21 ' A' ' 98' ' ' GLN . 50.8 t80 -88.84 61.27 5.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.419 0.628 . . . . 0.0 110.437 -177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 79.39 110.06 0.24 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.681 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 84.2 Cg_exo -45.68 -55.1 3.82 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.403 2.735 . . . . 0.0 112.901 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.64 -39.41 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.543 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -61.88 -54.35 43.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.98 0.419 . . . . 0.0 110.894 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.549 HE21 ' HB3' ' A' ' 93' ' ' TYR . 69.4 mm-40 -64.06 -49.62 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.25 93.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.602 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 22.3 p -66.87 -36.47 82.39 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.652 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.22 -38.04 87.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.678 0.275 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 24.3 m-85 -74.13 -35.61 64.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.904 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.03 60.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.06 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.524 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 91.76 5.22 66.73 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.404 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 61.9 mt -78.36 140.62 60.73 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.71 160.32 37.17 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.238 . . . . 0.0 111.909 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 19' ' ' TYR . 44.3 tttm -58.74 110.12 2.38 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.549 -176.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -94.36 154.02 2.04 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.241 2.628 . . . . 0.0 113.269 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 t -164.37 158.57 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.477 176.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -103.82 61.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.207 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.9 p -74.59 -36.57 63.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 110.563 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.246 176.61 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 14.8 mmt . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.637 0.256 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.67 157.74 16.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -128.95 -178.16 4.51 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.7 119.52 14.23 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 111.146 -175.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.3 pt -94.06 137.04 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.768 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -92.03 110.0 21.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.311 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.9 t -112.01 84.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.7 t70 40.98 80.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.735 -1.121 . . . . 0.0 112.534 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.49 -29.97 5.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.443 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -99.63 131.75 45.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.87 0.367 . . . . 0.0 111.392 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -102.89 106.64 17.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.904 178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -98.4 119.87 37.83 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.11 0.481 . . . . 0.0 110.931 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.98 127.4 33.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.6 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.4 m -120.13 142.06 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.656 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.59 -176.09 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.765 0.316 . . . . 0.0 110.72 -174.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.17 -19.74 60.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.366 -173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -91.08 -0.72 57.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.249 0.547 . . . . 0.0 110.515 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.99 31.07 27.04 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.746 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -109.8 153.87 23.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.381 . . . . 0.0 110.532 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -71.06 119.21 14.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.2 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.2 m -86.09 -20.62 28.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.896 0.379 . . . . 0.0 111.58 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -106.99 107.86 19.09 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD21 ' O ' ' A' ' 104' ' ' GLY . 74.4 mt -95.39 -177.01 3.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.822 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 52.55 18.95 1.07 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.813 1.245 . . . . 0.0 113.341 175.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.65 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.0 t90 30.84 106.21 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.698 1.599 . . . . 0.0 114.791 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.86 153.85 40.56 Favored Pre-proline 0 C--N 1.317 -0.819 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.191 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.18 -30.37 50.42 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.743 2.295 . . . . 0.0 112.62 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.43 -31.0 75.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.827 178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.3 t -59.27 -50.44 79.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-O 120.922 0.392 . . . . 0.0 110.456 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.05 -38.69 91.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.847 -178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.543 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 14.0 t70 -63.48 -56.81 13.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.76 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.588 HG12 HE21 ' A' ' 37' ' ' GLN . 81.4 t -60.82 -36.66 72.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.439 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 43.5 ttm -68.68 -42.55 77.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.783 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.58 91.35 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.367 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 32' ' ' ASP . 1.6 mptm? -62.42 -31.97 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.588 HE21 HG12 ' A' ' 33' ' ' VAL . 77.2 mt-30 -74.84 -24.89 58.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 -178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -101.35 0.71 37.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.618 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 69.56 48.0 0.63 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.493 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD22 HE21 ' A' ' 98' ' ' GLN . 23.1 tp -135.04 140.67 45.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.333 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -98.85 153.58 18.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.313 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -118.78 110.11 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.8 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 p -93.62 -178.25 4.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.015 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.18 -31.0 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.021 0.439 . . . . 0.0 110.206 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 49' ' ' ILE . 4.9 mm-40 -70.81 -44.6 66.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.797 178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -61.98 -47.01 86.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -59.93 -35.74 75.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.194 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.33 -38.29 81.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.698 0.285 . . . . 0.0 110.616 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.4 mm -67.17 -44.43 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.422 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.29 -44.77 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.978 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 15.2 t-20 -59.29 -44.85 92.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.646 176.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -58.54 -44.47 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 53' ' ' LEU . 14.0 mt -65.79 -37.96 87.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.313 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.84 -51.29 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 14.6 mm-40 -60.87 -46.94 88.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.503 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.68 -49.7 76.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.832 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -73.17 -37.65 66.47 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.382 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -69.77 -34.97 74.51 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.983 -177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -89.32 -40.68 12.62 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -104.07 -12.7 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 65.29 23.82 12.15 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.094 0.558 . . . . 0.0 111.275 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.3 tt -127.87 129.87 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.36 109.06 43.17 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.26 143.86 22.73 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.46 2.107 . . . . 0.0 112.664 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 111' ' ' CYS . . . -82.29 -176.05 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.445 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -47.62 -57.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -58.39 -45.97 87.28 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.776 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.03 -46.77 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.981 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 73' ' ' VAL . 54.7 tp -60.62 -51.21 70.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.761 HG21 ' H ' ' A' ' 84' ' ' SER . 22.4 m -62.61 -28.63 70.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.34 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -72.71 -34.98 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.321 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.08 -27.56 43.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.559 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 69' ' ' LEU . 96.4 t -60.35 -35.97 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.939 0.399 . . . . 0.0 110.778 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.68 -11.85 63.35 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.256 -177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -93.73 -22.85 18.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.841 0.353 . . . . 0.0 110.49 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HD3' ' C ' ' A' ' 76' ' ' LYS . 0.8 OUTLIER -101.75 -62.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 109.894 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.61 -33.39 60.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.383 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 123.66 171.78 13.62 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 80' ' ' GLU . 35.5 mtmm -77.79 150.66 34.28 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 177.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 45.3 mt-10 75.38 -39.41 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.794 0.684 . . . . 0.0 110.422 -173.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -81.08 -0.86 41.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.815 0.817 . . . . 0.0 109.055 168.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.59 172.4 21.91 Favored Glycine 0 N--CA 1.438 -1.182 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 172.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.433 ' HA ' HG22 ' A' ' 70' ' ' THR . 44.3 t30 65.5 94.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.534 0.683 . . . . 0.0 112.035 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.761 ' H ' HG21 ' A' ' 70' ' ' THR . 8.8 t 68.95 -79.6 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.834 -1.076 . . . . 0.0 112.943 171.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -47.64 -67.64 0.26 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -167.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 t80 -62.72 -34.89 78.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.804 -170.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.6 mm? -68.0 -40.68 82.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.264 . . . . 0.0 110.919 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 84' ' ' SER . 55.7 m-85 -76.18 -20.32 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.745 177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.5 m -83.01 -30.46 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.558 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 78.9 mt -78.1 -49.71 13.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.86 0.362 . . . . 0.0 110.522 176.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 58.6 m-85 -116.9 92.52 39.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.435 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -71.29 -13.01 30.57 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.527 2.152 . . . . 0.0 112.167 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.93 4.08 54.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.497 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.472 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 122.43 109.66 2.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.882 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.615 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.0 Cg_endo -48.2 -65.85 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.733 2.955 . . . . 0.0 113.404 -176.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 -38.84 80.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.115 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -54.06 -53.62 50.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.409 HE21 HD22 ' A' ' 40' ' ' LEU . 14.1 mm100 -71.72 -46.75 57.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.135 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.94 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.638 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.734 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 31.2 p -70.21 -33.88 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.469 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 78.9 ttt180 -60.83 -49.17 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.744 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.64 -28.16 66.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.6 -13.19 59.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.526 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 95.3 -1.76 64.85 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.775 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.734 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 84.8 mt -65.54 122.47 80.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.735 0.302 . . . . 0.0 110.537 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.439 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 71.8 Cg_endo -75.51 48.04 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.424 2.75 . . . . 0.0 113.277 -175.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 106' ' ' PRO . 49.9 mtmt 75.01 123.92 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.419 0 O-C-N 123.967 0.792 . . . . 0.0 111.861 178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 13.7 Cg_exo -69.9 152.58 68.62 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.909 2.406 . . . . 0.0 111.33 175.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.8 p -68.73 -33.58 74.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.972 0.415 . . . . 0.0 111.213 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.83 172.6 13.18 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.831 175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 65' ' ' ALA . 10.8 p -119.08 25.79 9.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.235 0.54 . . . . 0.0 109.994 179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.251 1.132 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.445 -178.113 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HA ' ' OE2' ' A' ' 16' ' ' GLU . 20.1 ptp . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 120.636 0.255 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.88 63.47 2.17 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 109.735 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.74 -169.39 2.61 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.07 -167.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 13' ' ' ALA . 1.5 p -135.27 139.38 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.364 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 30' ' ' VAL . 32.9 pt -99.52 141.59 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -97.84 107.95 20.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.179 0.514 . . . . 0.0 110.532 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.66 101.04 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.773 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 58.45 55.61 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.694 178.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.15 -21.21 7.2 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.782 -0.644 . . . . 0.0 113.292 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -104.4 142.64 34.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 110.957 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 94.3 mt-30 -104.3 134.22 47.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.083 0.468 . . . . 0.0 111.23 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -114.78 134.12 55.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.207 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -70.51 125.99 28.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.514 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 20' ' ' LEU . 33.5 m -128.01 169.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.061 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.86 -175.56 4.65 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.573 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 17.0 tt0 -69.49 -19.24 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.616 0.246 . . . . 0.0 111.422 -174.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.29 -28.76 23.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 0.0 110.318 173.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.69 0.67 12.11 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.513 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 101' ' ' ARG . 20.8 m-85 -65.06 125.9 26.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.833 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 31.9 tp -54.45 104.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 123.449 0.468 . . . . 0.0 110.15 176.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -94.79 -2.46 50.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -107.34 82.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 89.51 7.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.274 0.559 . . . . 0.0 111.041 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -96.72 -37.64 10.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.408 176.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' TRP . 13.7 t70 -166.79 -38.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.689 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.529 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 83.5 t90 79.72 122.68 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 124.095 0.872 . . . . 0.0 110.951 -177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -115.14 151.86 46.13 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.688 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -49.95 -34.95 39.23 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.296 2.664 . . . . 0.0 113.165 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.24 -34.3 67.09 Favored Glycine 0 C--N 1.332 0.356 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.791 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 5' ' ' ILE . 78.3 t -60.94 -48.16 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.14 -38.64 78.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.785 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 42' ' ' LEU . 21.2 t70 -59.24 -55.1 39.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.563 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.19 -37.46 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.47 . . . . 0.0 110.517 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.536 ' SD ' ' HG2' ' A' ' 101' ' ' ARG . 34.5 ttm -68.27 -45.37 73.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.898 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.23 -33.72 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.372 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.02 -21.13 64.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.041 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.17 -31.03 15.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 110.437 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -79.39 -12.64 59.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.121 0.486 . . . . 0.0 109.85 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 69.56 47.3 0.67 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.539 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.2 tp -133.41 141.88 48.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.81 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 pm0 -84.09 139.88 32.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 178.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 32' ' ' ASP . 74.6 mt -101.45 95.22 6.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.236 0.541 . . . . 0.0 110.177 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.0 m -95.5 166.6 11.78 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.759 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -51.4 -33.11 28.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.519 ' O ' HG12 ' A' ' 49' ' ' ILE . 13.8 mm-40 -56.15 -58.9 5.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.122 0.487 . . . . 0.0 110.146 172.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -61.1 -41.22 96.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.174 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -56.73 -42.96 80.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.518 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 16.0 t70 -76.1 -28.48 57.53 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.881 -177.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 45' ' ' GLU . 50.2 mm -63.78 -46.79 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.503 HG23 ' HB2' ' A' ' 103' ' ' ALA . 69.9 mt -64.7 -41.67 92.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.933 175.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 38.5 t30 -57.29 -49.68 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.893 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 53' ' ' LEU . 27.6 mt -64.98 -36.09 83.29 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.588 176.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -67.01 -48.54 68.07 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.685 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 45.7 mt-10 -53.21 -44.24 67.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.817 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.464 -176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -77.23 -39.13 49.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.693 0.282 . . . . 0.0 111.534 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -70.0 -30.15 67.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.778 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.01 -64.79 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.556 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -75.84 -9.42 58.58 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.666 -172.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.73 19.97 11.45 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.868 0.467 . . . . 0.0 111.792 176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.5 tt -136.95 144.55 31.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.845 0.355 . . . . 0.0 110.758 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.95 121.59 47.34 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.925 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HB2' ' HB ' ' A' ' 68' ' ' VAL . 87.4 Cg_endo -83.9 164.68 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.942 2.428 . . . . 0.0 113.64 -174.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.574 ' HB2' ' HA3' ' A' ' 110' ' ' GLY . . . -95.2 -180.0 5.0 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.461 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -54.66 -47.27 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 123.101 0.251 . . . . 0.0 111.647 -177.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -55.72 -51.11 68.46 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.06 0.457 . . . . 0.0 110.977 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 64' ' ' PRO . 39.4 t -66.82 -46.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.936 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 73' ' ' VAL . 65.8 tp -56.73 -56.97 14.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.33 -178.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.499 HG23 HD23 ' A' ' 87' ' ' LEU . 19.1 m -55.87 -37.0 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.06 -175.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -82.65 -28.42 30.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.29 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.66 55.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 110.976 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 69' ' ' LEU . 86.1 t -57.72 -29.52 35.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 176.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -69.6 -10.35 63.55 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.888 -0.596 . . . . 0.0 113.375 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -101.12 -19.8 15.61 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.612 -0.346 . . . . 0.0 111.215 179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.3 -35.68 3.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.818 -169.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.5 tp -100.3 -45.61 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.844 0.354 . . . . 0.0 110.514 -178.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.575 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 171.0 149.18 6.34 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -73.58 -15.09 61.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.279 0.539 . . . . 0.0 111.746 -173.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 80' ' ' GLU . 22.9 mp0 -77.84 -24.37 48.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.512 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 8.8 mptt -87.93 110.23 20.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.326 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -175.91 -25.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.261 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -63.32 139.82 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 174.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -59.74 -26.96 66.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.655 0.264 . . . . 0.0 110.618 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -46.56 -45.46 18.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.97 175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -59.69 -58.51 8.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.983 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.499 HD23 HG23 ' A' ' 70' ' ' THR . 4.4 mm? -69.71 -34.26 73.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.745 -174.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.32 -6.83 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.2 m -94.19 -30.54 14.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.75 -44.97 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 177.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.472 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 82.9 m-85 -121.98 103.23 39.98 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.281 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.05 -5.54 14.55 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 123.1 2.534 . . . . 0.0 113.021 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -119.26 16.12 13.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 111.177 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.86 101.75 2.12 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.337 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.495 ' HB3' HD12 ' A' ' 87' ' ' LEU . 72.5 Cg_exo -49.3 -60.37 0.89 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 123.43 2.753 . . . . 0.0 112.956 -177.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.04 -35.65 76.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.405 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.453 ' HA ' ' HG ' ' A' ' 100' ' ' CYS . 54.6 tttp -72.22 -44.97 62.13 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -172.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -68.47 -43.78 76.23 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.21 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.72 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.757 -177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 29.5 p -69.0 -27.71 65.94 Favored 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.523 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.536 ' HG2' ' SD ' ' A' ' 34' ' ' MET . 44.0 ttm180 -61.34 -50.19 73.95 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 175.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HA ' ' SD ' ' A' ' 34' ' ' MET . 23.0 m-85 -64.67 -33.91 77.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.057 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -78.0 -23.18 48.42 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.388 0.43 . . . . 0.0 111.549 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.833 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 86.89 30.52 20.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.444 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 75.9 mt -86.76 116.66 66.78 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.94 86.8 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.225 2.617 . . . . 0.0 113.312 -174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 108' ' ' PRO . 14.0 ptmm? 35.57 88.24 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 124.587 1.155 . . . . 0.0 113.115 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 9.4 Cg_endo -51.89 122.82 11.13 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.639 2.892 . . . . 0.0 113.124 -176.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.462 HG22 ' SG ' ' A' ' 111' ' ' CYS . 11.2 m -87.43 90.41 8.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.774 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.574 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -80.6 91.73 1.39 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.496 -176.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' A' ' 109' ' ' THR . 25.7 p -165.98 -166.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.517 176.375 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.87 151.56 25.45 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.312 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -135.51 -164.15 1.49 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.009 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 21.5 p -136.53 131.82 34.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.745 0.307 . . . . 0.0 111.009 -176.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.498 HD11 HG13 ' A' ' 30' ' ' VAL . 30.2 pt -95.22 128.27 46.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -93.56 102.35 14.54 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.289 0.566 . . . . 0.0 110.75 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.09 129.46 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.078 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.2 t70 65.98 -82.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.588 0.555 . . . . 0.0 110.172 -175.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 8.42 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.716 -0.553 . . . . 0.0 111.716 174.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -112.61 137.37 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.541 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 0.4 OUTLIER -89.07 108.66 19.71 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.094 176.06 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -91.01 124.41 35.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.01 123.32 21.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.629 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 20' ' ' LEU . 23.5 m -133.09 152.68 36.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.009 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -179.08 5.89 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.61 -25.11 60.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.62 -18.23 56.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.109 0.481 . . . . 0.0 109.762 174.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.53 17.61 13.23 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.299 173.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -87.02 139.91 30.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.065 0.432 . . . . 0.0 110.452 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.729 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 54.5 tp -63.81 116.73 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -84.27 -21.33 31.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.111 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -106.84 88.47 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.994 0.426 . . . . 0.0 110.212 178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.97 105.03 16.14 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -147.47 -71.43 0.22 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.422 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.34 -62.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 66.9 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.721 0.638 . . . . 0.0 111.259 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.75 155.59 77.03 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.619 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.04 -34.32 46.4 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.887 2.391 . . . . 0.0 112.639 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.43 -27.66 63.65 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 113.126 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG13 HD11 ' A' ' 5' ' ' ILE . 84.6 t -65.33 -50.7 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.03 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.386 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.92 -61.47 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.084 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.4 -39.31 83.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.984 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 48.7 ttm -60.96 -46.77 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.261 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -25.84 62.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.736 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.14 -25.24 64.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.81 0.338 . . . . 0.0 111.518 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -74.79 -50.99 15.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.248 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -16.57 64.13 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.874 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 t30 66.1 61.77 0.61 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.722 0.772 . . . . 0.0 109.974 -176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 tp -129.51 113.45 14.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.461 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.96 101.1 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.9 mt -71.45 103.91 3.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.681 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -91.98 -176.36 4.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.481 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -54.54 -37.3 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.542 . . . . 0.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.453 ' O ' HG12 ' A' ' 49' ' ' ILE . 36.5 mt-10 -72.34 -37.2 68.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.579 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -67.31 -47.27 71.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -61.4 -35.31 77.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.451 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.22 -38.14 75.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.953 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.0 mm -62.0 -47.37 93.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.927 0.394 . . . . 0.0 110.195 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.04 -44.32 91.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.068 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.7 t30 -55.31 -49.76 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.991 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' HZ ' ' HB1' ' A' ' 72' ' ' ALA . 65.6 t80 -61.29 -38.7 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 53' ' ' LEU . 24.3 mt -62.88 -37.5 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.007 179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HE ' ' CD ' ' A' ' 58' ' ' GLU . 31.4 ttt180 -69.06 -41.34 77.71 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.928 176.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 50.8 mt-10 -56.45 -51.92 66.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.864 0.364 . . . . 0.0 110.596 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.08 -39.92 87.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -68.38 -45.77 71.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.24 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' CD ' ' HE ' ' A' ' 54' ' ' ARG . 50.4 mt-10 -70.46 -17.9 62.99 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.97 -49.89 6.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -109.23 -6.25 15.62 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -172.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 59.98 28.91 18.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.375 0.607 . . . . 0.0 110.527 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -122.4 124.89 71.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.801 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -93.59 110.96 50.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.51 162.57 21.98 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.589 2.193 . . . . 0.0 113.565 -172.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.24 -162.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.614 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.18 -65.52 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -70.67 -27.53 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.666 0.269 . . . . 0.0 111.055 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.12 -40.5 85.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.074 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 73' ' ' VAL . 67.6 tp -64.23 -50.38 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.345 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -48.42 -42.5 32.33 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 123.726 0.641 . . . . 0.0 112.04 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -56.87 -43.61 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.543 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -90.51 -7.88 51.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.748 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 69' ' ' LEU . 73.5 t -63.72 -31.38 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.5 176.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.66 -24.53 69.71 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.732 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -86.98 -25.78 24.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HG3' HD12 ' A' ' 77' ' ' LEU . 60.2 tptt -89.09 -60.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.392 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.508 HD13 HG13 ' A' ' 73' ' ' VAL . 10.4 mp -86.38 -66.31 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.561 -174.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.03 -170.83 43.21 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.016 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 79' ' ' LYS . 43.1 tptt -78.56 110.93 14.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.798 0.332 . . . . 0.0 110.717 -173.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 61.91 12.62 4.94 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.949 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -66.28 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.417 ' HA3' HG11 ' A' ' 73' ' ' VAL . . . -76.69 -40.4 26.82 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p30 38.43 -96.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 112.819 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -168.35 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -59.23 -39.18 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.505 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -59.0 -45.03 91.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 2.7 mm? -61.83 -40.62 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.58 -18.03 59.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.707 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.4 m -81.37 -31.11 33.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.993 0.425 . . . . 0.0 110.004 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.4 mt -71.06 -47.77 56.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.87 174.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.534 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 55.2 m-85 -124.04 95.29 44.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.08 -178.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.22 -22.25 61.11 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 123.243 2.628 . . . . 0.0 112.869 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -84.79 -7.88 59.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.083 0.468 . . . . 0.0 110.406 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 130.05 119.03 2.09 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.306 -0.717 . . . . 0.0 111.306 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.545 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 10.3 Cg_endo -52.18 -56.76 2.6 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.514 2.809 . . . . 0.0 112.829 -176.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.84 76.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.849 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -51.14 -60.24 3.32 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.84 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -68.97 -42.48 76.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.466 -175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.27 90.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 30.8 p -70.84 -34.18 71.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 110.252 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -58.7 -52.23 66.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.679 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -68.1 -26.68 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.48 -20.69 54.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 111.522 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.729 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 99.14 17.54 26.99 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.894 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.631 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 92.9 mt -87.15 114.84 60.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -72.76 84.17 1.28 Allowed 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 123.094 2.53 . . . . 0.0 113.596 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.4 mttm 54.2 65.63 5.1 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.153 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 55.3 Cg_endo -67.53 -18.32 48.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.977 2.451 . . . . 0.0 112.893 -172.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.2 t -64.82 -22.09 66.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.024 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.41 74.71 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.562 -177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 8.0 t -142.58 29.48 1.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.246 0.906 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.679 -178.343 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.74 -170.07 0.19 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.653 0.595 . . . . 0.0 110.654 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -132.12 156.84 45.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.799 0.333 . . . . 0.0 110.587 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.435 HG22 ' HA ' ' A' ' 13' ' ' ALA . 35.8 p -125.57 127.82 46.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.814 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.545 HG13 ' HB2' ' A' ' 12' ' ' PHE . 19.6 pt -89.54 127.89 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 109.996 174.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.12 109.31 20.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.506 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.2 t -120.74 92.04 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.757 0.313 . . . . 0.0 111.459 -176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 61.22 44.53 9.81 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.113 173.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.46 36.46 23.41 Favored Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.776 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -150.23 122.28 8.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -97.38 117.45 31.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.735 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' HB2' HG13 ' A' ' 5' ' ' ILE . 94.6 m-85 -105.47 116.09 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.281 176.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -76.45 121.96 23.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.31 151.89 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.213 0.53 . . . . 0.0 111.134 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -74.64 162.77 28.43 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.901 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.53 -17.9 60.82 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -90.7 -1.12 57.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.753 0.311 . . . . 0.0 111.336 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.78 19.88 38.97 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.553 175.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -98.81 138.77 35.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.223 0.511 . . . . 0.0 110.649 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.98 126.81 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -86.35 -36.23 19.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.026 0.441 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -91.09 83.93 5.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.922 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD21 ' O ' ' A' ' 104' ' ' GLY . 75.8 mt -87.62 88.53 7.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -163.99 -44.04 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.104 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.08 -87.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 66.79 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.708 0.766 . . . . 0.0 111.991 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.13 160.42 68.59 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.402 175.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -51.56 -34.22 51.42 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.689 2.259 . . . . 0.0 112.281 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.38 -28.72 62.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.79 -0.641 . . . . 0.0 113.094 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.09 -52.13 64.32 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 120.964 0.411 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -67.31 -40.92 86.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.434 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -58.37 -59.39 5.41 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.324 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.63 -39.12 84.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.89 ' HG2' HH21 ' A' ' 101' ' ' ARG . 41.3 ttm -67.89 -38.22 82.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -177.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.0 69.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.427 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -72.53 -23.03 60.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -60.57 -47.18 87.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.256 0.55 . . . . 0.0 109.636 173.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -15.77 57.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.732 176.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 65.83 81.54 0.2 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.549 -173.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.52 122.5 22.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.781 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -72.07 104.56 3.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.051 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -80.92 91.76 6.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.21 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -179.65 6.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 173.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.262 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -63.63 -47.48 81.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.202 173.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -45.59 75.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.271 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -61.66 -31.3 71.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -64.0 -44.63 92.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.187 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.69 -44.08 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.616 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -60.34 -46.88 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.37 177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.564 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 50.5 t30 -61.25 -46.51 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.097 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -58.06 -40.88 82.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.501 HD21 HD13 ' A' ' 69' ' ' LEU . 25.8 mt -70.43 -32.41 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.34 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -66.09 -44.38 84.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 51' ' ' ASN . 41.0 mt-10 -66.5 -33.29 75.35 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.517 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.57 -49.38 76.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -68.48 -34.08 75.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.2 0.524 . . . . 0.0 110.331 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.73 -41.33 99.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.378 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -100.65 -51.09 3.68 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.61 -22.39 50.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.127 -174.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 64.46 24.02 13.05 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.599 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 tt -147.31 148.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.05 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 108' ' ' PRO . . . -96.83 132.19 26.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.83 152.27 8.6 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.71 2.273 . . . . 0.0 113.35 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.92 177.94 7.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.137 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.56 -38.4 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -174.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.32 -12.91 61.0 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.6 t -93.62 -47.18 13.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 HD21 ' A' ' 53' ' ' LEU . 64.3 tp -57.8 -40.38 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.5 m -56.57 -41.2 76.51 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.81 -33.37 62.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.581 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.72 95.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.66 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.478 HG13 HD23 ' A' ' 77' ' ' LEU . 92.6 t -62.13 -34.7 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 0.0 109.96 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 78' ' ' GLY . . . -64.96 -24.44 70.13 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.607 177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -82.72 -43.0 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.008 0.432 . . . . 0.0 110.354 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.63 -50.28 9.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.947 -173.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.478 HD23 HG13 ' A' ' 73' ' ' VAL . 4.2 mm? -87.85 -46.69 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.79 0.328 . . . . 0.0 111.156 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.419 ' O ' ' HA2' ' A' ' 74' ' ' GLY . . . 149.0 170.09 16.32 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.392 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.848 ' HE3' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -63.13 -30.17 71.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.87 9.11 40.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.032 0.444 . . . . 0.0 111.457 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -112.82 -13.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 170.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.11 49.42 4.23 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.943 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -135.36 153.94 51.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.1 m -57.12 -29.61 63.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.257 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.91 -46.26 67.95 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.967 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -71.93 -35.97 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.348 0.594 . . . . 0.0 110.785 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.631 ' HB3' ' HG3' ' A' ' 95' ' ' PRO . 4.5 mm? -76.1 -36.51 58.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.492 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -81.35 -14.54 57.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.8 p -84.88 -27.02 26.96 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.026 173.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.64 -47.91 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 0.0 110.601 171.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.448 ' CB ' ' HA ' ' A' ' 95' ' ' PRO . 75.3 m-85 -129.42 111.7 17.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.695 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -74.59 -24.05 14.14 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.743 2.295 . . . . 0.0 113.278 -178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -115.64 71.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 111.555 -175.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 68.65 84.77 0.12 Allowed Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.631 ' HG3' ' HB3' ' A' ' 87' ' ' LEU . 9.9 Cg_endo -52.94 -42.06 66.74 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.417 2.744 . . . . 0.0 113.549 -176.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.87 -45.07 96.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 46.0 mtpt -73.13 -45.98 53.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.72 -175.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -46.91 85.76 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.065 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.35 91.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.491 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.755 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.5 p -70.1 -34.25 72.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 120.732 -0.387 . . . . 0.0 109.977 -178.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.89 HH21 ' HG2' ' A' ' 34' ' ' MET . 30.5 ttp180 -58.78 -44.41 90.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.151 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.421 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . 20.1 m-85 -67.36 -33.82 76.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.634 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.15 -8.73 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.006 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.45 -0.83 66.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.613 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 85.1 mt -72.12 127.52 90.32 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.519 0.2 . . . . 0.0 110.911 -177.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.25 171.31 11.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.742 2.295 . . . . 0.0 112.124 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 107' ' ' LYS . 30.9 ttmt -63.23 111.45 5.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.94 -177.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 85.6 Cg_endo -87.17 -8.89 6.36 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.844 2.363 . . . . 0.0 112.727 -179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.537 HG21 HG22 ' A' ' 112' ' ' VAL . 6.4 m -83.35 -50.36 8.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.441 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.83 45.41 34.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.062 -177.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 51.8 t -166.54 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.537 HG22 HG21 ' A' ' 109' ' ' THR . 15.4 m . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.365 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.27 170.99 0.32 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.781 0.676 . . . . 0.0 110.662 -176.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -170.23 -170.61 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 13' ' ' ALA . 74.2 p -121.27 128.89 52.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.984 0.421 . . . . 0.0 110.205 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.512 HD11 HG13 ' A' ' 30' ' ' VAL . 27.7 pt -91.79 127.33 44.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.23 107.61 19.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.011 0.434 . . . . 0.0 110.188 -176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.8 t -100.47 115.51 41.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.57 -79.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.946 0.778 . . . . 0.0 110.865 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.05 13.62 1.11 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.671 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -124.03 132.97 53.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.735 0.302 . . . . 0.0 110.594 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -88.15 120.34 29.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.247 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.51 127.85 48.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.33 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.503 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -83.66 114.55 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.25 -176.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 20' ' ' LEU . 15.6 m -123.5 150.41 27.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.196 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -76.33 155.08 34.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -67.57 -17.62 64.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.276 0.56 . . . . 0.0 110.405 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 37.9 tt0 -67.27 -17.37 64.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.685 173.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 101' ' ' ARG . . . 92.85 51.91 2.2 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.487 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' HE1' ' SG ' ' A' ' 100' ' ' CYS . 66.0 m-85 -141.02 135.28 30.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' HA ' HG12 ' A' ' 14' ' ' VAL . 55.8 tp -65.59 114.7 5.12 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 t -86.98 -19.75 28.27 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.337 0.589 . . . . 0.0 110.313 -176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -106.5 92.03 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.393 -177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD21 ' O ' ' A' ' 104' ' ' GLY . 68.3 mt -81.88 105.06 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -167.28 -33.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.609 -176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -124.01 -86.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.61 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.3 t90 69.57 110.09 0.05 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.523 0.729 . . . . 0.0 111.646 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 m -117.94 156.88 49.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.686 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.42 -31.04 76.02 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.956 2.438 . . . . 0.0 112.556 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.72 -34.95 72.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.491 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 5' ' ' ILE . 88.0 t -57.63 -48.02 84.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.372 . . . . 0.0 110.494 178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -66.98 -40.17 87.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.37 -49.11 72.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.198 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.8 t -65.04 -36.96 79.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.054 0.454 . . . . 0.0 110.734 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 40.5 ttm -65.35 -50.73 64.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.291 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.46 -27.02 68.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.787 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -64.49 -35.62 81.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.94 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -77.81 -35.62 51.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -77.97 -7.54 56.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.57 32.31 11.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 109.798 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.2 tp -107.28 151.55 25.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.333 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -85.21 143.66 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.789 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.7 mt -117.92 90.52 3.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.007 172.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.1 p -91.1 -177.71 4.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.067 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -62.81 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.091 0.472 . . . . 0.0 109.897 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.4 tp10 -72.22 -49.18 37.26 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 50' ' ' ILE . 70.3 m80 -61.54 -50.76 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.935 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -59.68 -33.0 71.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.34 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.06 -48.46 76.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 45' ' ' GLU . 42.5 mm -63.2 -43.1 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.624 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 46' ' ' HIS . 95.4 mt -57.3 -51.55 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.747 178.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -68.89 -35.78 77.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.68 -40.24 91.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.73 HD21 HD13 ' A' ' 69' ' ' LEU . 18.7 mt -64.64 -42.26 95.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.132 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -63.39 -44.83 93.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.639 -0.424 . . . . 0.0 109.951 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.04 -49.35 73.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.896 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -61.8 -38.0 86.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.662 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 61' ' ' GLN . 60.6 t80 -74.04 -41.11 62.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.242 -177.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -73.12 -22.28 60.57 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.277 -0.265 . . . . 0.0 111.42 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -94.44 -58.82 2.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -84.88 -21.45 29.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -174.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 57' ' ' TYR . 84.5 mm-40 65.54 20.05 11.6 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.152 -176.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.5 mt -117.54 139.2 45.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -99.34 109.98 56.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.16 129.31 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.055 2.503 . . . . 0.0 113.28 -176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.91 -173.96 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.196 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -63.59 -35.47 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -174.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -84.21 -12.12 55.36 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.63 -41.33 12.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.963 0.411 . . . . 0.0 110.804 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD13 HD21 ' A' ' 53' ' ' LEU . 56.5 tp -59.71 -39.54 84.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -178.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -59.22 -44.42 92.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 111.416 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.99 -42.11 97.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.39 69.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.253 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.7 t -62.2 -39.19 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.607 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.529 ' HA2' ' HA ' ' A' ' 80' ' ' GLU . . . -61.61 -31.77 79.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.17 -0.538 . . . . 0.0 113.049 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -88.3 -21.92 24.17 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -77.43 -42.43 36.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.766 ' HG ' ' HE2' ' A' ' 81' ' ' LYS . 3.8 mm? -79.67 1.2 27.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.267 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.96 -58.98 4.99 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -94.27 149.47 21.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 173.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.529 ' HA ' ' HA2' ' A' ' 74' ' ' GLY . 2.0 mp0 -71.54 68.85 0.59 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.208 0.528 . . . . 0.0 110.038 177.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.766 ' HE2' ' HG ' ' A' ' 77' ' ' LEU . 40.1 ttpt -71.34 -40.99 70.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.798 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -91.3 46.82 2.84 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.663 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -65.54 -48.09 73.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 111.09 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.4 p -161.31 -72.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.756 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -54.11 -42.31 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.421 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 12.0 t80 -64.01 -47.02 81.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.414 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.494 HD23 HD12 ' A' ' 90' ' ' LEU . 36.7 mt -68.82 -31.11 69.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.612 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -74.61 -24.15 58.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m -82.16 -32.38 30.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.811 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 87' ' ' LEU . 89.4 mt -68.12 -46.36 71.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.222 175.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.686 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 52.1 m-85 -129.07 92.29 39.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.143 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.88 -16.37 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.285 2.657 . . . . 0.0 113.303 -174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -96.69 13.5 28.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.429 0.633 . . . . 0.0 109.785 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.59 114.21 2.12 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.409 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.564 ' HA ' ' HB2' ' A' ' 91' ' ' PHE . 77.2 Cg_exo -50.8 -60.1 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.106 2.537 . . . . 0.0 112.348 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.32 79.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -57.36 -54.02 51.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.037 -176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.686 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 14.7 mm100 -79.12 -30.54 43.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.397 -175.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.72 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 28.6 p -70.68 -29.79 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.268 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.544 ' HB3' ' O ' ' A' ' 98' ' ' GLN . 58.7 ttt85 -49.52 -52.44 29.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.884 175.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.422 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . 22.8 m-85 -81.23 -25.7 36.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 100' ' ' CYS . . . -75.15 -16.39 60.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.514 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.438 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 94.63 1.94 63.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.472 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 68.0 mt -80.28 117.87 69.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.816 0.341 . . . . 0.0 110.147 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.95 80.22 2.69 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 123.067 2.512 . . . . 0.0 114.094 -172.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.507 ' HD2' ' OE1' ' A' ' 17' ' ' GLU . 80.0 tttt 64.56 92.03 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.359 166.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.546 ' HB3' ' HB1' ' A' ' 63' ' ' ALA . 54.5 Cg_endo -99.09 41.99 0.08 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.948 3.099 . . . . 0.0 112.463 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.0 m -71.4 91.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.149 0.499 . . . . 0.0 111.362 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.72 121.84 5.71 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.569 176.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.7 m -82.76 -30.99 28.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.223 0.535 . . . . 0.0 110.068 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.093 178.434 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tmm? . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.86 0.362 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -148.33 -75.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.625 0.25 . . . . 0.0 110.468 178.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -131.33 -179.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.0 p -143.01 129.12 19.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.776 0.322 . . . . 0.0 111.61 -176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' A' ' 12' ' ' PHE . 32.6 pt -99.4 128.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -96.42 108.89 21.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.902 -176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.1 t -115.31 98.02 6.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.601 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.41 -65.3 0.3 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.639 175.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.34 0.73 0.95 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.184 -1.007 . . . . 0.0 113.501 -176.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -130.82 136.21 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.409 0.604 . . . . 0.0 111.312 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.79 113.1 25.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.573 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.402 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.5 m-85 -91.45 118.93 30.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.519 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.01 113.39 6.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.504 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 27.6 m -119.68 157.94 21.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.244 0.545 . . . . 0.0 111.37 -177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.5 166.61 18.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.412 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.73 -20.0 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.667 0.27 . . . . 0.0 111.083 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 0.18 56.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.774 174.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.12 29.47 22.64 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.613 175.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -99.75 137.32 38.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.19 0.495 . . . . 0.0 110.444 177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' HB3' ' HA3' ' A' ' 104' ' ' GLY . 61.1 tp -71.16 117.79 13.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.954 0.407 . . . . 0.0 109.923 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 t -91.81 31.67 1.2 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.057 0.456 . . . . 0.0 110.671 -175.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -159.33 88.3 0.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.971 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD11 ' HD3' ' A' ' 106' ' ' PRO . 65.9 mt -81.79 96.82 7.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.239 0.542 . . . . 0.0 110.709 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -164.48 -57.68 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.871 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.03 -88.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.548 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.462 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 87.3 t90 58.82 102.19 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.424 0.631 . . . . 0.0 111.32 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' HB ' ' HD2' ' A' ' 28' ' ' PRO . 29.4 m -96.43 160.64 29.17 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 173.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 27' ' ' VAL . 9.6 Cg_endo -53.37 -33.14 65.14 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.514 2.143 . . . . 0.0 111.979 177.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.66 -31.14 63.37 Favored Glycine 0 C--O 1.225 -0.436 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.904 177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.97 -50.24 81.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.985 0.392 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.45 -42.45 87.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 32.9 t70 -61.46 -49.7 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.089 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 79.7 t -66.57 -39.17 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.654 0.264 . . . . 0.0 110.686 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 39.6 tpp -59.06 -51.02 71.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.098 0.475 . . . . 0.0 110.482 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.46 -32.97 74.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.873 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 32' ' ' ASP . 13.5 ttmm -61.66 -33.49 74.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 72.4 mt-30 -60.97 -34.62 75.05 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.53 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.413 ' CG ' HH12 ' A' ' 101' ' ' ARG . 4.2 m-20 -89.97 0.25 57.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.536 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m120 67.49 19.74 9.92 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.708 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.09 131.47 35.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.45 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -99.57 126.88 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -86.26 117.96 25.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.955 0.407 . . . . 0.0 110.514 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.5 p -98.78 -170.74 1.98 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.191 177.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.72 -50.32 66.19 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.187 0.518 . . . . 0.0 110.788 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 49' ' ' ILE . 14.9 mp0 -66.72 -36.47 82.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.06 -178.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -62.57 -52.61 62.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.579 0.228 . . . . 0.0 110.714 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -59.16 -37.88 78.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.39 -48.96 75.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.099 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 45' ' ' GLU . 49.1 mm -62.5 -46.56 96.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.926 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.0 -47.59 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.779 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 62.9 t30 -63.66 -44.17 94.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.461 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.57 -39.96 77.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.836 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.662 HD21 HD13 ' A' ' 69' ' ' LEU . 18.6 mt -62.32 -42.9 99.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.407 179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' NH1' ' HB3' ' A' ' 26' ' ' TRP . 55.0 ttt180 -63.73 -46.42 85.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' ASN . 17.8 mm-40 -52.29 -50.44 62.17 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.397 0.618 . . . . 0.0 110.666 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.96 -47.53 82.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.063 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -73.26 -31.28 64.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.703 0.287 . . . . 0.0 111.547 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.52 -27.98 62.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.921 0.391 . . . . 0.0 110.404 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -91.04 -49.37 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.506 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -90.53 -25.43 20.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -173.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.66 23.48 13.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.469 0.652 . . . . 0.0 110.069 -170.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.17 128.37 73.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.979 176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.39 116.13 66.05 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.597 0.236 . . . . 0.0 110.451 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.68 126.5 17.62 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.833 2.355 . . . . 0.0 112.732 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.94 -175.61 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.138 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.0 t -56.26 -48.81 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.632 0.253 . . . . 0.0 111.569 -175.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -65.0 -45.33 86.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.994 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.35 -43.85 98.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.159 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD13 HD21 ' A' ' 53' ' ' LEU . 59.5 tp -64.18 -51.53 63.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.526 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.1 m -59.43 -37.83 79.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 -178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -62.5 -39.33 93.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.951 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.62 -42.07 64.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.654 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 69' ' ' LEU . 95.6 t -58.94 -37.47 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.53 ' HA2' ' HA3' ' A' ' 82' ' ' GLY . . . -64.74 -15.56 60.05 Favored Glycine 0 CA--C 1.521 0.432 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.242 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -109.15 -32.41 7.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.84 0.32 . . . . 0.0 111.231 177.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 76' ' ' LYS . 2.2 tmtp? -64.91 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.4 mm? -86.52 14.68 6.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.089 0.471 . . . . 0.0 110.796 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.34 -103.63 2.07 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.694 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -132.72 12.68 4.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.766 0.317 . . . . 0.0 110.989 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 81' ' ' LYS . 14.5 tt0 -136.17 164.61 27.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.963 -179.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 80' ' ' GLU . 62.7 mttp 74.1 -56.89 0.63 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.407 0.683 . . . . 0.0 112.623 173.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.53 ' HA3' ' HA2' ' A' ' 74' ' ' GLY . . . -54.89 103.55 0.21 Allowed Glycine 0 CA--C 1.519 0.328 0 O-C-N 123.205 0.316 . . . . 0.0 113.527 -175.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -157.04 160.69 39.2 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 p -61.77 -43.82 98.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.982 0.42 . . . . 0.0 111.037 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.2 -37.92 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.559 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.44 ' OH ' ' HG2' ' A' ' 45' ' ' GLU . 74.2 t80 -63.02 -42.66 99.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.655 -1.157 . . . . 0.0 110.786 -177.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 3.9 mm? -65.6 -37.47 86.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.271 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -72.13 -24.93 61.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 111.035 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.7 m -82.1 -20.48 38.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 110.547 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 95.4 mt -82.31 -50.14 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.785 174.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' HB2' ' HA ' ' A' ' 95' ' ' PRO . 35.6 m-85 -127.63 97.19 31.04 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.988 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.33 -26.96 55.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.032 2.488 . . . . 0.0 113.128 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -90.74 27.21 1.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.143 0.497 . . . . 0.0 110.673 -177.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.45 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 107.78 114.49 3.83 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -177.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.885 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 8.2 Cg_endo -50.83 -64.96 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.281 2.654 . . . . 0.0 112.714 -176.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.2 61.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.695 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -63.45 -54.86 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.322 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.563 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 10.5 mm-40 -67.17 -44.77 78.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.877 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.926 -175.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.6 p -65.81 -37.71 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.042 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.413 HH12 ' CG ' ' A' ' 38' ' ' ASP . 40.7 ttt180 -58.41 -46.61 86.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.28 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -67.74 -29.29 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.13 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.82 -10.09 49.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.926 0.393 . . . . 0.0 111.258 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 20' ' ' LEU . . . 80.76 21.87 62.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.647 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 71.7 mt -84.27 143.81 42.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.624 0.25 . . . . 0.0 110.849 -178.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 105' ' ' LEU . 24.7 Cg_exo -63.23 163.48 23.02 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 122.709 2.273 . . . . 0.0 111.508 174.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.493 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 93.8 mttt -63.73 112.74 7.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.476 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 107' ' ' LYS . 11.2 Cg_exo -71.06 -32.95 12.46 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.274 2.649 . . . . 0.0 112.487 -176.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 50.9 m -110.13 107.7 17.62 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.586 -178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.77 44.95 1.16 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.36 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.6 m -78.45 77.66 4.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.982 0.42 . . . . 0.0 110.166 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.138 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.976 0.417 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 14' ' ' VAL . . . -159.31 175.97 12.73 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.344 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -108.91 159.6 16.67 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.7 p -123.24 116.96 24.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.404 HD11 HG13 ' A' ' 30' ' ' VAL . 33.2 pt -89.15 131.1 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -103.8 99.62 9.4 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.285 0.564 . . . . 0.0 110.403 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.452 HG22 HG21 ' A' ' 33' ' ' VAL . 47.6 t -94.18 113.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.583 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 68.66 -74.36 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.811 0.694 . . . . 0.0 110.396 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.87 20.1 0.43 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -120.09 122.5 41.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -90.89 115.09 27.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.388 . . . . 0.0 110.624 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.29 127.91 50.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.37 178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.42 123.03 25.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.728 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 20' ' ' LEU . 27.3 m -128.89 143.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.52 162.94 26.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -66.01 -16.34 63.81 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.35 -8.35 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.692 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.86 17.88 33.95 Favored Glycine 0 C--O 1.224 -0.504 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.133 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.553 ' OH ' ' HG3' ' A' ' 97' ' ' LYS . 76.3 m-85 -94.57 125.77 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.083 0.441 . . . . 0.0 111.492 -177.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.554 ' HA ' HG12 ' A' ' 14' ' ' VAL . 62.2 tp -58.38 117.85 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -95.95 12.12 31.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.021 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -138.94 92.15 2.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.649 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.6 mt -84.49 93.63 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.056 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -146.94 -62.42 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.7 -81.13 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.944 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.3 t90 65.8 109.43 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.824 0.85 . . . . 0.0 112.147 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.36 157.63 38.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.641 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.72 -26.44 56.3 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.892 2.395 . . . . 0.0 112.244 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -60.47 -36.02 90.25 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.181 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 5' ' ' ILE . 57.4 t -59.09 -42.18 85.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-O 121.009 0.433 . . . . 0.0 110.241 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.92 70.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.937 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.38 -42.44 98.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.69 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.452 HG21 HG22 ' A' ' 7' ' ' VAL . 77.7 t -60.69 -41.95 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 111.279 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.573 ' HA ' HE21 ' A' ' 37' ' ' GLN . 66.9 mtm -75.5 -34.08 60.82 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.645 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.52 91.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.931 0.396 . . . . 0.0 110.241 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -60.88 -37.72 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.86 176.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.573 HE21 ' HA ' ' A' ' 34' ' ' MET . 49.8 mt-30 -69.63 -27.51 65.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.76 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.42 -6.37 47.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.572 0.701 . . . . 0.0 109.752 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.9 42.49 12.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.713 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 tp -113.74 122.86 48.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.41 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.14 120.62 26.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.279 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.3 mt -83.64 105.98 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.496 HG22 ' OE2' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -91.96 175.54 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' OE2' HG22 ' A' ' 43' ' ' THR . 1.8 mp0 -58.07 -38.04 75.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.309 0.504 . . . . 0.0 110.732 -177.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.96 -38.58 91.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.076 0.465 . . . . 0.0 110.359 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.561 ' O ' HG12 ' A' ' 50' ' ' ILE . 63.1 m80 -64.97 -48.15 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.049 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -60.29 -29.81 69.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.012 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.03 -49.25 76.76 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.67 -44.34 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.832 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 46' ' ' HIS . 48.2 mm -59.12 -49.49 83.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.115 0.483 . . . . 0.0 110.514 178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -63.01 -38.71 92.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HZ ' ' HB1' ' A' ' 72' ' ' ALA . 86.6 t80 -59.76 -44.55 93.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.466 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 69' ' ' LEU . 24.0 mt -68.79 -29.11 67.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.2 -53.2 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.34 -34.09 77.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.281 . . . . 0.0 110.918 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -59.88 -48.47 81.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.1 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -75.43 -32.56 60.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.519 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.47 -47.48 72.91 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.84 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -95.17 -58.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.777 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -73.21 -23.21 60.35 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -172.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 59.12 35.08 23.64 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.937 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -140.71 141.38 32.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.77 113.43 56.88 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.61 148.29 32.82 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.42 2.08 . . . . 0.0 113.002 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.533 ' HB2' ' HA3' ' A' ' 110' ' ' GLY . . . -84.76 -177.27 6.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.699 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG22 ' HG2' ' A' ' 95' ' ' PRO . 75.3 t -56.73 -54.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.963 -174.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.08 -39.42 79.08 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.156 -0.217 . . . . 0.0 110.825 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.59 -48.55 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 53' ' ' LEU . 59.1 tp -63.25 -48.86 76.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.981 -178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -59.78 -37.51 79.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.099 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -64.66 -39.56 93.9 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.006 0.432 . . . . 0.0 110.068 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -71.34 -36.7 71.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.572 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.597 HG13 HD23 ' A' ' 77' ' ' LEU . 79.6 t -62.51 -45.2 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.01 -20.4 66.81 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.511 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -77.44 -31.21 53.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.762 0.315 . . . . 0.0 110.491 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -96.63 -50.12 4.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.343 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.597 HD23 HG13 ' A' ' 73' ' ' VAL . 3.7 mm? -78.77 -14.41 59.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 0.0 111.134 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.78 153.23 28.24 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.632 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -71.65 -14.8 62.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.252 0.549 . . . . 0.0 110.461 -177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.87 -9.72 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.336 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -124.62 -38.31 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.781 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.76 79.82 1.53 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.234 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.571 ' O ' ' HB3' ' A' ' 86' ' ' TYR . 18.6 t-20 -100.13 164.6 11.9 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -64.36 -43.58 94.09 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.324 0.583 . . . . 0.0 110.07 176.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -64.01 -26.25 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.98 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' HB3' ' O ' ' A' ' 83' ' ' ASN . 90.7 t80 -60.49 -42.34 96.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.728 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.754 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 4.5 mm? -72.15 -41.08 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.941 178.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -67.85 -28.03 67.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.832 0.348 . . . . 0.0 111.033 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.1 t -71.04 -42.03 70.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.26 -46.05 52.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.913 0.387 . . . . 0.0 110.805 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.663 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 71.6 m-85 -128.2 98.46 26.57 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.424 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.5 -45.88 3.2 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.864 2.376 . . . . 0.0 113.354 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -83.12 59.36 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.635 0.731 . . . . 0.0 110.268 -176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 88.75 104.87 1.02 Allowed Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.854 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.754 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 6.5 Cg_endo -49.34 -56.93 2.69 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.32 2.68 . . . . 0.0 112.995 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.47 -37.91 59.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.553 ' HG3' ' OH ' ' A' ' 19' ' ' TYR . 56.6 tttp -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.32 -177.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.663 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 16.7 mm-40 -66.99 -51.85 49.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 178.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.71 87.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.986 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.669 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 14.0 p -69.24 -36.49 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.348 -177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -58.25 -47.16 84.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.633 -178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.497 ' HB2' HD12 ' A' ' 50' ' ' ILE . 21.4 m-85 -68.96 -30.52 68.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.914 0.388 . . . . 0.0 110.55 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.72 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.985 178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.62 10.12 86.47 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.469 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.669 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 89.6 mt -80.63 157.69 71.92 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.422 0.153 . . . . 0.0 110.597 -176.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.17 -174.27 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.938 2.425 . . . . 0.0 112.74 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -77.56 116.05 54.79 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.398 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.5 ' HG3' ' SG ' ' A' ' 100' ' ' CYS . 89.5 Cg_endo -88.8 101.79 0.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 122.982 2.455 . . . . 0.0 112.64 -176.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.8 m -96.08 -29.2 14.23 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.533 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . 76.85 18.56 78.72 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.07 177.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 67.4 m -125.75 105.12 8.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.775 0.321 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.262 -0.875 . . . . 0.0 109.509 178.811 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.4 mmm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.47 -168.48 0.2 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.685 0.616 . . . . 0.0 109.615 -171.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -166.72 173.53 9.5 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.476 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 13' ' ' ALA . 34.0 p -132.67 129.25 38.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.452 HD11 HG13 ' A' ' 30' ' ' VAL . 29.9 pt -98.03 134.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.54 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -93.28 104.15 16.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 110.153 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.0 t -97.18 92.84 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 t70 61.82 42.09 10.93 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.73 0.776 . . . . 0.0 110.266 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.51 -18.55 51.99 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.925 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -91.0 121.63 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -90.4 131.18 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.381 0.61 . . . . 0.0 112.169 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -119.95 117.17 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.719 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.42 125.73 27.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.951 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -120.33 157.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.272 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -75.76 157.4 33.54 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -67.74 -17.96 64.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.954 0.407 . . . . 0.0 110.644 -175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 mm-40 -86.58 2.56 47.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.563 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.87 -14.48 60.18 Favored Glycine 0 C--O 1.227 -0.293 0 C-N-CA 121.015 -0.612 . . . . 0.0 113.915 172.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -77.36 134.88 38.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.165 0.483 . . . . 0.0 109.988 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.024 ' HB3' ' HA2' ' A' ' 104' ' ' GLY . 69.0 tp -59.08 131.86 52.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.513 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.2 t -103.16 0.75 32.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.841 -174.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -126.85 107.0 9.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.049 -176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.5 mt -99.55 24.4 8.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.278 0.561 . . . . 0.0 110.267 175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.96 -30.78 28.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.175 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -130.3 -79.63 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.079 -176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.8 t90 69.31 124.48 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.865 0.84 . . . . 0.0 112.026 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.0 m -130.2 159.77 68.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.354 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.55 -32.32 63.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.45 -26.5 66.48 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.087 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG13 HD11 ' A' ' 5' ' ' ILE . 88.8 t -60.89 -50.2 81.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.865 0.332 . . . . 0.0 110.446 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.63 -36.5 78.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.729 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 20.9 t70 -61.7 -52.41 64.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.53 -39.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 46.3 ttm -65.17 -54.24 32.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.213 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.92 69.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HE3' ' HB2' ' A' ' 36' ' ' LYS . 27.2 ttmt -62.69 -36.55 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.142 177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.18 -37.12 78.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.107 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.97 -2.39 43.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.026 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.468 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER 64.16 31.45 13.25 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 178.201 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -105.22 122.16 45.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.056 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -82.18 109.45 16.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.13 113.59 20.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 71.6 p -96.63 -173.49 2.76 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -57.26 -38.73 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' O ' HG12 ' A' ' 49' ' ' ILE . 57.1 mp0 -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -65.6 -49.42 68.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.99 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -56.68 -39.85 74.52 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.07 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.16 -45.74 92.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 45' ' ' GLU . 51.5 mm -65.15 -43.45 95.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.809 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.41 -52.06 65.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.232 0.539 . . . . 0.0 110.429 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -61.14 -39.52 90.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.713 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' CD1' ' HD2' ' A' ' 76' ' ' LYS . 34.6 t80 -60.79 -42.46 97.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.885 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 53' ' ' LEU . 27.4 mt -61.67 -36.9 82.15 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.307 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -58.77 -54.99 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.703 176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -45.35 93.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.373 178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.81 -44.83 90.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.927 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.86 -42.69 63.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.229 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.73 -22.53 61.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.86 0.362 . . . . 0.0 111.042 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -90.89 -59.1 2.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.902 0.382 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.82 -8.04 55.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.934 -172.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 60.69 37.21 19.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.079 0.466 . . . . 0.0 111.612 177.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.7 tt -144.92 134.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.87 116.09 65.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.63 127.77 9.03 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.236 1.958 . . . . 0.0 113.359 -173.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB1' ' SG ' ' A' ' 111' ' ' CYS . . . -70.96 175.52 5.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.805 173.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.07 -44.97 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.91 0.386 . . . . 0.0 111.267 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -68.96 -19.78 64.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.344 -177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.0 t -94.52 -37.24 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.208 0.528 . . . . 0.0 110.613 178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 73' ' ' VAL . 42.1 tp -61.93 -37.49 84.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.831 -178.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 p -58.51 -36.84 74.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 111.391 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -73.85 -39.31 64.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.734 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.41 82.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.101 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 69' ' ' LEU . 95.5 t -62.85 -38.54 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.85 -17.74 73.63 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.88 -28.26 19.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.668 0.27 . . . . 0.0 110.839 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' HD2' ' CD1' ' A' ' 52' ' ' PHE . 62.1 tttm -96.57 -55.17 3.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.273 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.9 tp -76.68 -62.41 1.64 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.439 -175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.51 142.7 4.65 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.644 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -66.81 -26.77 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.968 0.414 . . . . 0.0 110.925 -176.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -76.78 -27.24 55.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.28 -4.37 25.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.587 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -79.83 69.3 3.08 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.078 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 m -61.76 -36.88 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.323 -177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -63.17 -36.38 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.601 -177.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.15 -37.49 87.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 43.3 mt -72.58 -33.06 66.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -71.92 -24.09 61.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.403 . . . . 0.0 110.4 174.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 m -76.51 -30.29 57.13 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.9 mt -77.06 -55.35 5.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.868 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.584 ' HB3' ' HG3' ' A' ' 98' ' ' GLN . 62.7 m-85 -122.21 106.45 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 -177.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -71.82 -22.27 23.81 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.834 2.356 . . . . 0.0 113.006 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -96.37 17.21 16.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 111.212 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.466 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . 104.5 108.82 3.34 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.696 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 7.3 Cg_endo -49.41 -45.45 30.51 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.566 2.844 . . . . 0.0 113.333 -176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.69 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.286 0.366 . . . . 0.0 111.516 -176.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 101' ' ' ARG . 40.8 mttp -56.37 -43.48 79.22 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.584 ' HG3' ' HB3' ' A' ' 91' ' ' PHE . 23.5 mm-40 -65.42 -56.32 13.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.949 0.404 . . . . 0.0 111.21 -178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.14 94.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.816 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 17.7 p -65.45 -37.32 86.52 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.215 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 97' ' ' LYS . 22.7 ttt180 -52.62 -52.45 55.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.881 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -76.45 -25.03 53.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.4 -13.15 59.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.474 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 1.024 ' HA2' ' HB3' ' A' ' 20' ' ' LEU . . . 98.79 10.31 50.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.83 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 78.0 mt -96.71 131.98 27.04 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 120.665 0.269 . . . . 0.0 110.287 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.24 -171.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.565 2.177 . . . . 0.0 111.899 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -65.82 109.24 2.9 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.02 0.438 . . . . 0.0 111.072 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -95.88 13.55 1.16 Allowed 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.31 2.674 . . . . 0.0 112.812 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 32.8 p 48.74 51.56 15.52 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.375 0.607 . . . . 0.0 110.989 -175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -83.53 78.35 2.02 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.182 -174.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.428 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 64.5 m 72.24 -58.72 0.58 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.472 0.709 . . . . 0.0 111.81 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.385 -0.817 . . . . 0.0 110.405 179.403 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.89 -81.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.867 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -117.62 -173.79 2.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 12' ' ' PHE . 1.9 p -133.58 121.89 22.74 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.869 0.366 . . . . 0.0 110.401 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.444 HG13 ' HB2' ' A' ' 12' ' ' PHE . 30.5 pt -89.85 127.22 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.096 0.474 . . . . 0.0 110.403 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 44.7 tt0 -91.08 106.68 18.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.03 103.01 14.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.49 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 63.93 -82.15 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.789 0.68 . . . . 0.0 111.273 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.38 22.98 2.86 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.211 -0.518 . . . . 0.0 112.127 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 99.8 mttt -121.13 142.56 49.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -110.18 107.14 16.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.951 0.405 . . . . 0.0 110.068 174.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' HG13 ' A' ' 5' ' ' ILE . 96.7 m-85 -93.78 116.5 28.98 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.69 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -69.41 107.99 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 35.2 m -115.25 168.72 6.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.671 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.0 179.66 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.46 -42.92 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -168.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -89.22 6.52 39.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -172.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.7 65.55 1.05 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.035 176.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -142.53 119.65 11.42 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 174.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' VAL . 2.4 pt? -73.55 119.49 17.85 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.701 -0.8 . . . . 0.0 109.557 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.86 -18.95 61.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.859 -174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.04 91.79 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.89 85.5 6.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.339 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -158.01 -69.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -91.01 43.12 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.247 0.546 . . . . 0.0 111.388 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -66.51 118.11 9.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -119.45 160.87 40.04 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.6 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -51.87 -36.19 62.49 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.89 2.394 . . . . 0.0 112.673 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.61 -35.43 66.98 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.728 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.41 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.404 . . . . 0.0 110.005 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.005 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -58.78 -51.28 70.66 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.775 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 90.3 t -64.59 -40.36 88.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.16 -48.57 81.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.371 0.605 . . . . 0.0 110.476 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.625 ' HB1' ' O ' ' A' ' 40' ' ' LEU . . . -66.72 -27.91 68.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.232 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.1 tttp -70.82 -26.39 63.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.249 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 33' ' ' VAL . 15.6 mm100 -75.15 -45.43 40.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.66 -14.51 56.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 0.0 110.533 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 67.55 70.82 0.35 Allowed 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.997 0.903 . . . . 0.0 110.775 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.625 ' O ' ' HB1' ' A' ' 35' ' ' ALA . 9.5 tt -152.54 107.55 3.23 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.227 -1.351 . . . . 0.0 108.242 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -73.56 119.23 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 0.0 110.989 -173.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.07 109.97 8.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.472 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 44' ' ' GLU . 1.3 m -101.39 -178.15 3.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' H ' HG22 ' A' ' 43' ' ' THR . 56.1 mt-10 -52.94 -42.93 65.9 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.685 0.279 . . . . 0.0 111.653 -176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' O ' HG12 ' A' ' 49' ' ' ILE . 8.4 mp0 -60.14 -46.08 90.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -65.26 -47.38 76.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.092 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -59.03 -39.32 81.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.402 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.93 -40.54 97.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.693 0.282 . . . . 0.0 110.58 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 45' ' ' GLU . 47.7 mm -71.3 -45.11 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 103' ' ' ALA . 92.9 mt -62.9 -47.53 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.229 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -67.55 -32.56 73.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.25 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.22 -45.8 91.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.971 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.641 HD21 HD13 ' A' ' 69' ' ' LEU . 46.4 mt -63.99 -37.89 89.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 177.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 54' ' ' ARG . 8.1 ttt180 -56.54 -55.99 26.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 176.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 58' ' ' GLU . 35.5 mt-10 -72.3 -24.39 61.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.348 -177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.11 -44.03 96.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.392 0.615 . . . . 0.0 109.36 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -73.56 -34.81 65.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.797 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' HB3' ' HA ' ' A' ' 55' ' ' GLU . 11.2 tp10 -56.82 -47.86 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.588 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -84.21 -56.09 3.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -92.15 -13.43 30.68 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -169.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.475 ' N ' HE21 ' A' ' 61' ' ' GLN . 0.0 OUTLIER 59.77 28.72 18.23 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.1 tt -135.67 141.18 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.742 0.306 . . . . 0.0 110.553 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.39 116.36 65.89 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.863 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.75 132.9 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.351 2.034 . . . . 0.0 112.651 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.38 172.26 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.635 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -51.87 -47.28 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.305 -177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 67' ' ' ARG . 43.6 mtp-105 -59.74 -44.58 93.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.26 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.32 -41.74 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.641 HD13 HD21 ' A' ' 53' ' ' LEU . 58.1 tp -61.97 -39.06 90.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -57.08 -36.36 70.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.009 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -83.6 -42.97 16.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.746 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.75 88.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.48 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.727 HG13 HD23 ' A' ' 77' ' ' LEU . 1.1 t -65.98 -22.91 31.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.47 -48.15 66.25 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.065 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -65.99 -17.08 64.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.735 0.302 . . . . 0.0 111.758 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -87.5 -35.14 18.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.921 0.391 . . . . 0.0 110.375 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD23 HG13 ' A' ' 73' ' ' VAL . 4.6 mm? -87.34 -21.8 25.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.79 -127.14 7.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.028 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -121.72 -24.47 5.28 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.585 -0.362 . . . . 0.0 110.089 175.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.13 -62.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.112 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 77' ' ' LEU . 62.2 mttp -88.88 -171.49 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.361 -174.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.537 ' O ' ' HB3' ' A' ' 86' ' ' TYR . . . 111.93 -122.88 6.16 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -168.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 66.23 170.02 0.23 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.324 0.583 . . . . 0.0 111.705 169.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 p -85.47 -44.95 12.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.747 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -58.47 -41.97 86.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.502 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 82' ' ' GLY . 54.4 t80 -59.0 -44.82 91.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.839 ' HB3' ' HB3' ' A' ' 95' ' ' PRO . 50.2 mt -72.57 -30.74 64.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -71.62 -34.95 70.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.973 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -73.65 -18.89 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.426 175.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 86' ' ' TYR . 56.4 mt -79.81 -54.21 6.06 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.336 173.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.66 ' HB3' ' HB2' ' A' ' 98' ' ' GLN . 67.4 m-85 -123.46 104.04 34.63 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -177.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.99 -42.39 30.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.321 2.681 . . . . 0.0 113.824 -173.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.68 -1.04 25.83 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.778 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.47 122.0 2.26 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.839 ' HB3' ' HB3' ' A' ' 87' ' ' LEU . 66.2 Cg_exo -50.82 -62.29 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.393 2.728 . . . . 0.0 112.892 -175.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.45 -36.88 79.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.122 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -64.26 -50.46 67.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.628 -173.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 91' ' ' PHE . 15.6 mm100 -68.85 -41.26 78.72 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.791 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.9 88.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.261 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.76 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 27.3 p -69.22 -26.06 64.62 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.63 -40.09 92.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.263 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.86 -29.87 44.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.483 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 50' ' ' ILE . . . -79.2 -16.25 56.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.151 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.497 ' HA3' ' CD2' ' A' ' 20' ' ' LEU . . . 85.26 8.69 81.08 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.786 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.76 ' HB2' ' HB2' ' A' ' 100' ' ' CYS . 93.4 mt -74.16 142.22 78.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.539 0.209 . . . . 0.0 110.616 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -58.46 134.5 61.59 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.342 2.028 . . . . 0.0 111.158 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -51.07 114.24 4.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 O-C-N 123.74 0.65 . . . . 0.0 111.81 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.69 33.71 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.269 2.646 . . . . 0.0 112.424 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.7 m -135.52 97.16 3.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.066 0.46 . . . . 0.0 110.418 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.09 -120.47 3.25 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.87 136.6 30.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.7 0.286 . . . . 0.0 110.336 177.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.05 -178.783 . . . . . . . . 0 0 . 1 stop_ save_